Chem
J-GLOBAL ID:200907036140030664
Nikkaji number:J966.080A
3,3′-Methylenebis(6-aminobenzoic acid 2-propynyl) ester
3,3′-メチレンビス(6-アミノ安息香酸2-プロピニル)
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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:
C21 H18 N2 O4
Molecular formula furigana:
C21-H18-N2-O4
Molecular weight:
362.385
InChI:
InChI=1S/C21H18N2O4/c1-3-9-26-20(24)16-12-14(5-7-18(16)22)11-15-6-8-19(23)17(13-15)21(25)27-10-4-2/h1-2,5-8,12-13H,9-11,22-23H2
InChI key:
FFLBGBKZMLDTJI-UHFFFAOYSA-N
SMILES:
Nc1ccc(Cc2ccc(N)c(c2)C(=O)OCC#C)cc1C(=O)OCC#C
Systematic name (4):
5,5′-メチレンビス(2-アミノ安息香酸2-プロピニル)
3,3′-メチレンビス(6-アミノ安息香酸2-プロピニル)
プロパ-2-イン-1-イル 2-アミノ-5-({4-アミノ-3-[(プロパ-2-イン-1-イルオキシ)カルボニル]フェニル}メチル)ベンゾアート
prop-2-yn-1-yl 2-amino-5-({4-amino-3-[(prop-2-yn-1-yloxy)carbonyl]phenyl}methyl)benzoate
Other name (2):
5,5′-Methylenebis(2-aminobenzoic acid 2-propynyl) ester
3,3′-Methylenebis(6-aminobenzoic acid 2-propynyl) ester
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