3-[(3-carboxyphenyl)methyl]-1-(2-oxidanylidene-1H-pyridin-3-yl)benzo[e]indole-2-carboxylic acid

Systemtic Name: 3-[(3-carboxyphenyl)methyl]-1-(2-oxidanylidene-1H-pyridin-3-yl)benzo[e]indole-2-carboxylic acid Openeye Name: 3-[(3-carboxyphenyl)methyl]-1-(2-oxo-1H-pyridin-3-yl)benzo[e]indole-2-carboxylic acid CAS Name: 3-[(3-carboxyphenyl)methyl]-1-(2-oxo-1H-pyridin-3-yl)-2-benzo[e]indolecarboxylic acid IUPAC Name: 3-[(3-carboxyphenyl)methyl]-1-(2-oxo-1H-pyridin-3-yl)benzo[e]indole-2-carboxylic acid Traditional Name: 3-(3-carboxybenzyl)-1-(2-keto-1H-pyridin-3-yl)benz[e]indole-2-carboxylic acid Formula: C26H18N2O5 MolecularWeight: 438.43152

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC3=C2C(=C(N3CC4=CC=CC(=C4)C(=O)O)C(=O)O)C5=CC=CNC5=O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC3=C2C(=C(N3CC4=CC=CC(=C4)C(=O)O)C(=O)O)C5=CC=CNC5=O

InChI

InChI=1S/C26H18N2O5/c29-24-19(9-4-12-27-24)22-21-18-8-2-1-6-16(18)10-11-20(21)28(23(22)26(32)33)14-15-5-3-7-17(13-15)25(30)31/h1-13H,14H2,(H,27,29)(H,30,31)(H,32,33)