1-[(3,4-dichlorophenyl)methyl]-3-[(4-oxidanyl-4-oxidanylidene-butanoyl)amino]indole-2-carboxylic acid

Systemtic Name: 1-[(3,4-dichlorophenyl)methyl]-3-[(4-oxidanyl-4-oxidanylidene-butanoyl)amino]indole-2-carboxylic acid Openeye Name: 1-[(3,4-dichlorophenyl)methyl]-3-[(4-hydroxy-4-oxo-butanoyl)amino]indole-2-carboxylic acid CAS Name: 1-[(3,4-dichlorophenyl)methyl]-3-[(4-hydroxy-1,4-dioxobutyl)amino]-2-indolecarboxylic acid IUPAC Name: 1-[(3,4-dichlorophenyl)methyl]-3-[(4-hydroxy-4-oxobutanoyl)amino]indole-2-carboxylic acid Traditional Name: 1-(3,4-dichlorobenzyl)-3-[(4-hydroxy-4-keto-butanoyl)amino]indole-2-carboxylic acid Formula: C20H16Cl2N2O5 MolecularWeight: 435.25744

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(N2CC3=CC(=C(C=C3)Cl)Cl)C(=O)O)NC(=O)CCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(N2CC3=CC(=C(C=C3)Cl)Cl)C(=O)O)NC(=O)CCC(=O)O

InChI

InChI=1S/C20H16Cl2N2O5/c21-13-6-5-11(9-14(13)22)10-24-15-4-2-1-3-12(15)18(19(24)20(28)29)23-16(25)7-8-17(26)27/h1-6,9H,7-8,10H2,(H,23,25)(H,26,27)(H,28,29)