Chem
J-GLOBAL ID:200907082631692016
Nikkaji number:J838.419C
(S)-MRS-1191
(4S)-1,4-ジヒドロ-2-メチル-4-(フェニルエチニル)-6-フェニル-3,5-ピリジンジカルボン酸3-エチル5-ベンジル
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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:
C31 H27 NO4
Molecular formula furigana:
C31-H27-N-O4
Molecular weight:
477.560
InChI:
InChI=1S/C31H27NO4/c1-3-35-30(33)27-22(2)32-29(25-17-11-6-12-18-25)28(26(27)20-19-23-13-7-4-8-14-23)31(34)36-21-24-15-9-5-10-16-24/h4-18,26,32H,3,21H2,1-2H3/t26-/m0/s1
InChI key:
SNVFDPHQAOXWJZ-SANMLTNESA-N
SMILES:
CCOC(=O)C1=C(C)NC(=C([C@H]1C#Cc1ccccc1)C(=O)OCc1ccccc1)c1ccccc1
Systematic name (4):
(4S)-1,4-ジヒドロ-2-メチル-4-(フェニルエチニル)-6-フェニル-3,5-ピリジンジカルボン酸3-エチル5-ベンジル
(4S)-2-メチル-4-(フェニルエチニル)-6-フェニル-1,4-ジヒドロピリジン-3,5-ジカルボン酸3-エチル5-ベンジル
3-ベンジル 5-エチル (4S)-6-メチル-2-フェニル-4-(2-フェニルエチニル)-1,4-ジヒドロピリジン-3,5-ジカルボキシラート
3-benzyl 5-ethyl (4S)-6-methyl-2-phenyl-4-(2-phenylethynyl)-1,4-dihydropyridine-3,5-dicarboxylate
Other name (3):
(4S)-1,4-Dihydro-2-methyl-4-(phenylethynyl)-6-phenyl-3,5-pyridinedicarboxylic acid 3-ethyl 5-benzyl ester
(4S)-2-Methyl-4-(phenylethynyl)-6-phenyl-1,4-dihydropyridine-3,5-dicarboxylic acid 3-ethyl 5-benzyl ester
(S)-MRS-1191
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