1-[2-[(4-carboxyphenyl)methylamino]-2-oxidanylidene-ethyl]-3-cyclohexyl-2-(furan-3-yl)indole-6-carboxylic acid

Systemtic Name: 1-[2-[(4-carboxyphenyl)methylamino]-2-oxidanylidene-ethyl]-3-cyclohexyl-2-(furan-3-yl)indole-6-carboxylic acid Openeye Name: 1-[2-[(4-carboxyphenyl)methylamino]-2-oxo-ethyl]-3-cyclohexyl-2-(3-furyl)indole-6-carboxylic acid CAS Name: 1-[2-[(4-carboxyphenyl)methylamino]-2-oxoethyl]-3-cyclohexyl-2-(3-furanyl)-6-indolecarboxylic acid IUPAC Name: 1-[2-[(4-carboxyphenyl)methylamino]-2-oxoethyl]-3-cyclohexyl-2-(furan-3-yl)indole-6-carboxylic acid Traditional Name: 1-[2-[(4-carboxybenzyl)amino]-2-keto-ethyl]-3-cyclohexyl-2-(3-furyl)indole-6-carboxylic acid Formula: C29H28N2O6 MolecularWeight: 500.54242

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=C(N(C3=C2C=CC(=C3)C(=O)O)CC(=O)NCC4=CC=C(C=C4)C(=O)O)C5=COC=C5

Isomeric SMILES

C1CCC(CC1)C2=C(N(C3=C2C=CC(=C3)C(=O)O)CC(=O)NCC4=CC=C(C=C4)C(=O)O)C5=COC=C5

InChI

InChI=1S/C29H28N2O6/c32-25(30-15-18-6-8-20(9-7-18)28(33)34)16-31-24-14-21(29(35)36)10-11-23(24)26(19-4-2-1-3-5-19)27(31)22-12-13-37-17-22/h6-14,17,19H,1-5,15-16H2,(H,30,32)(H,33,34)(H,35,36)