1-[(3-carboxyphenyl)methyl]-3-cyclohexyl-2-phenyl-indole-6-carboxylic acid

Systemtic Name: 1-[(3-carboxyphenyl)methyl]-3-cyclohexyl-2-phenyl-indole-6-carboxylic acid Openeye Name: 1-[(3-carboxyphenyl)methyl]-3-cyclohexyl-2-phenyl-indole-6-carboxylic acid CAS Name: 1-[(3-carboxyphenyl)methyl]-3-cyclohexyl-2-phenyl-6-indolecarboxylic acid IUPAC Name: 1-[(3-carboxyphenyl)methyl]-3-cyclohexyl-2-phenylindole-6-carboxylic acid Traditional Name: 1-(3-carboxybenzyl)-3-cyclohexyl-2-phenyl-indole-6-carboxylic acid Formula: C29H27NO4 MolecularWeight: 453.52898

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=C(N(C3=C2C=CC(=C3)C(=O)O)CC4=CC=CC(=C4)C(=O)O)C5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)C2=C(N(C3=C2C=CC(=C3)C(=O)O)CC4=CC=CC(=C4)C(=O)O)C5=CC=CC=C5

InChI

InChI=1S/C29H27NO4/c31-28(32)22-13-7-8-19(16-22)18-30-25-17-23(29(33)34)14-15-24(25)26(20-9-3-1-4-10-20)27(30)21-11-5-2-6-12-21/h2,5-8,11-17,20H,1,3-4,9-10,18H2,(H,31,32)(H,33,34)