Chem
J-GLOBAL ID:200907002642885823
Nikkaji number:J2.329.581D
2-[2-Amino(1,1-2 H2 )ethoxy(2 H2 )methyl]-4-(2-chlorophenyl)-6-methyl-1,4-dihydro-3,5-pyridinedicarboxylic acid 3-ethyl 5-methyl ester
2-[2-アミノ(1,1-2 H2 )エトキシ(2 H2 )メチル]-4-(2-クロロフェニル)-6-メチル-1,4-ジヒドロ-3,5-ピリジンジカルボン酸3-エチル5-メチル
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Substance type:
Substance type
Substance type classified into 3 categories. Decided structure: Substances with a clear structure Undicided Structure: Substances with unknown or undetermined structure Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula:
C20 H21 [2 H]4 ClN2 O5
Molecular formula furigana:
C20-H25-CL-N2-O5
Molecular weight:
412.900
InChI:
InChI=1S/C20H25ClN2O5/c1-4-28-20(25)18-15(11-27-10-9-22)23-12(2)16(19(24)26-3)17(18)13-7-5-6-8-14(13)21/h5-8,17,23H,4,9-11,22H2,1-3H3/i10D2,11D2
InChI key:
HTIQEAQVCYTUBX-MKQHWYKPSA-N
SMILES:
C([2H])([2H])(CN)OC([2H])([2H])C1=C(C(C(=C(C)N1)C(=O)OC)c1ccccc1Cl)C(=O)OCC
Systematic name (3):
2-[2-アミノ(1,1-2 H2 )エトキシ(2 H2 )メチル]-4-(2-クロロフェニル)-6-メチル-1,4-ジヒドロ-3,5-ピリジンジカルボン酸3-エチル5-メチル
3-エチル 5-メチル 2-{[2-アミノ(1,1-2 H2 )エトキシ](2 H2 )メチル}-4-(2-クロロフェニル)-6-メチル-1,4-ジヒドロピリジン-3,5-ジカルボキシラート
3-ethyl 5-methyl 2-{[2-amino(1,1-2 H2 )ethoxy](2 H2 )methyl}-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate
Other name (1):
2-[2-Amino(1,1-2 H2 )ethoxy(2 H2 )methyl]-4-(2-chlorophenyl)-6-methyl-1,4-dihydro-3,5-pyridinedicarboxylic acid 3-ethyl 5-methyl ester
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