4-[(3-carboxy-2-oxidanyl-naphthalen-1-yl)methyl]-3-oxidanyl-naphthalene-2-carboxylic acid; methyl 3-(aziridin-1-yl)propanoate

Systemtic Name: 4-[(3-carboxy-2-oxidanyl-naphthalen-1-yl)methyl]-3-oxidanyl-naphthalene-2-carboxylic acid; methyl 3-(aziridin-1-yl)propanoate Openeye Name: 4-[(3-carboxy-2-hydroxy-1-naphthyl)methyl]-3-hydroxy-naphthalene-2-carboxylic acid; methyl 3-(aziridin-1-yl)propanoate CAS Name: 3-(1-aziridinyl)propanoic acid methyl ester; 4-[(3-carboxy-2-hydroxy-1-naphthalenyl)methyl]-3-hydroxy-2-naphthalenecarboxylic acid IUPAC Name: 4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid; methyl 3-(aziridin-1-yl)propanoate Traditional Name: 4-[(3-carboxy-2-hydroxy-1-naphthyl)methyl]-3-hydroxy-2-naphthoic acid; 3-ethyleniminopropionic acid methyl ester Formula: C29H27NO8 MolecularWeight: 517.52658

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCN1CC1.C1=CC=C2C(=C1)C=C(C(=C2CC3=C(C(=CC4=CC=CC=C43)C(=O)O)O)O)C(=O)O

Isomeric SMILES

COC(=O)CCN1CC1.C1=CC=C2C(=C1)C=C(C(=C2CC3=C(C(=CC4=CC=CC=C43)C(=O)O)O)O)C(=O)O

InChI

InChI=1S/C23H16O6.C6H11NO2/c24-20-16(14-7-3-1-5-12(14)9-18(20)22(26)27)11-17-15-8-4-2-6-13(15)10-19(21(17)25)23(28)29;1-9-6(8)2-3-7-4-5-7/h1-10,24-25H,11H2,(H,26,27)(H,28,29);2-5H2,1H3