3-cyclohexyl-1-[2-(cyclopropylmethylamino)-2-oxidanylidene-ethyl]-2-phenyl-indole-5-carboxylic acid

Systemtic Name: 3-cyclohexyl-1-[2-(cyclopropylmethylamino)-2-oxidanylidene-ethyl]-2-phenyl-indole-5-carboxylic acid Openeye Name: 3-cyclohexyl-1-[2-(cyclopropylmethylamino)-2-oxo-ethyl]-2-phenyl-indole-5-carboxylic acid CAS Name: 3-cyclohexyl-1-[2-(cyclopropylmethylamino)-2-oxoethyl]-2-phenyl-5-indolecarboxylic acid IUPAC Name: 3-cyclohexyl-1-[2-(cyclopropylmethylamino)-2-oxoethyl]-2-phenylindole-5-carboxylic acid Traditional Name: 3-cyclohexyl-1-[2-(cyclopropylmethylamino)-2-keto-ethyl]-2-phenyl-indole-5-carboxylic acid Formula: C27H30N2O3 MolecularWeight: 430.5387

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=C(N(C3=C2C=C(C=C3)C(=O)O)CC(=O)NCC4CC4)C5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)C2=C(N(C3=C2C=C(C=C3)C(=O)O)CC(=O)NCC4CC4)C5=CC=CC=C5

InChI

InChI=1S/C27H30N2O3/c30-24(28-16-18-11-12-18)17-29-23-14-13-21(27(31)32)15-22(23)25(19-7-3-1-4-8-19)26(29)20-9-5-2-6-10-20/h2,5-6,9-10,13-15,18-19H,1,3-4,7-8,11-12,16-17H2,(H,28,30)(H,31,32)