1-(carboxymethyl)-3-cyclohexyl-2-[4-(4-methoxypyridin-3-yl)phenyl]indole-6-carboxylic acid

Systemtic Name: 1-(carboxymethyl)-3-cyclohexyl-2-[4-(4-methoxypyridin-3-yl)phenyl]indole-6-carboxylic acid Openeye Name: 1-(carboxymethyl)-3-cyclohexyl-2-[4-(4-methoxy-3-pyridyl)phenyl]indole-6-carboxylic acid CAS Name: 1-(carboxymethyl)-3-cyclohexyl-2-[4-(4-methoxy-3-pyridinyl)phenyl]-6-indolecarboxylic acid IUPAC Name: 1-(carboxymethyl)-3-cyclohexyl-2-[4-(4-methoxypyridin-3-yl)phenyl]indole-6-carboxylic acid Traditional Name: 1-(carboxymethyl)-3-cyclohexyl-2-[4-(4-methoxy-3-pyridyl)phenyl]indole-6-carboxylic acid Formula: C29H28N2O5 MolecularWeight: 484.54302

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=NC=C1)C2=CC=C(C=C2)C3=C(C4=C(N3CC(=O)O)C=C(C=C4)C(=O)O)C5CCCCC5

Isomeric SMILES

COC1=C(C=NC=C1)C2=CC=C(C=C2)C3=C(C4=C(N3CC(=O)O)C=C(C=C4)C(=O)O)C5CCCCC5

InChI

InChI=1S/C29H28N2O5/c1-36-25-13-14-30-16-23(25)18-7-9-20(10-8-18)28-27(19-5-3-2-4-6-19)22-12-11-21(29(34)35)15-24(22)31(28)17-26(32)33/h7-16,19H,2-6,17H2,1H3,(H,32,33)(H,34,35)