3-cyclohexyl-1-[2-(methoxyamino)-2-oxidanylidene-ethyl]-2-(4-phenylmethoxyphenyl)indole-6-carboxylic acid

Systemtic Name: 3-cyclohexyl-1-[2-(methoxyamino)-2-oxidanylidene-ethyl]-2-(4-phenylmethoxyphenyl)indole-6-carboxylic acid Openeye Name: 2-(4-benzyloxyphenyl)-3-cyclohexyl-1-[2-(methoxyamino)-2-oxo-ethyl]indole-6-carboxylic acid CAS Name: 3-cyclohexyl-1-[2-(methoxyamino)-2-oxoethyl]-2-(4-phenylmethoxyphenyl)-6-indolecarboxylic acid IUPAC Name: 3-cyclohexyl-1-[2-(methoxyamino)-2-oxoethyl]-2-(4-phenylmethoxyphenyl)indole-6-carboxylic acid Traditional Name: 2-(4-benzoxyphenyl)-3-cyclohexyl-1-[2-keto-2-(methoxyamino)ethyl]indole-6-carboxylic acid Formula: C31H32N2O5 MolecularWeight: 512.59618

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Descriptors Computed from Structure

Canonical SMILES:

CONC(=O)CN1C2=C(C=CC(=C2)C(=O)O)C(=C1C3=CC=C(C=C3)OCC4=CC=CC=C4)C5CCCCC5

Isomeric SMILES

CONC(=O)CN1C2=C(C=CC(=C2)C(=O)O)C(=C1C3=CC=C(C=C3)OCC4=CC=CC=C4)C5CCCCC5

InChI

InChI=1S/C31H32N2O5/c1-37-32-28(34)19-33-27-18-24(31(35)36)14-17-26(27)29(22-10-6-3-7-11-22)30(33)23-12-15-25(16-13-23)38-20-21-8-4-2-5-9-21/h2,4-5,8-9,12-18,22H,3,6-7,10-11,19-20H2,1H3,(H,32,34)(H,35,36)