5-[4-(1H-indol-6-yl)phenyl]-3-[(4-methylcyclohexyl)carbonyl-propan-2-yl-amino]thiophene-2-carboxylic acid

Systemtic Name: 5-[4-(1H-indol-6-yl)phenyl]-3-[(4-methylcyclohexyl)carbonyl-propan-2-yl-amino]thiophene-2-carboxylic acid Openeye Name: 5-[4-(1H-indol-6-yl)phenyl]-3-[isopropyl-(4-methylcyclohexanecarbonyl)amino]thiophene-2-carboxylic acid CAS Name: 5-[4-(1H-indol-6-yl)phenyl]-3-[[(4-methylcyclohexyl)-oxomethyl]-propan-2-ylamino]-2-thiophenecarboxylic acid IUPAC Name: 5-[4-(1H-indol-6-yl)phenyl]-3-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]thiophene-2-carboxylic acid Traditional Name: 5-[4-(1H-indol-6-yl)phenyl]-3-[isopropyl-(4-methylcyclohexanecarbonyl)amino]-2-thenoic acid Formula: C30H32N2O3S MolecularWeight: 500.65168

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)C(=O)N(C2=C(SC(=C2)C3=CC=C(C=C3)C4=CC5=C(C=C4)C=CN5)C(=O)O)C(C)C

Isomeric SMILES

CC1CCC(CC1)C(=O)N(C2=C(SC(=C2)C3=CC=C(C=C3)C4=CC5=C(C=C4)C=CN5)C(=O)O)C(C)C

InChI

InChI=1S/C30H32N2O3S/c1-18(2)32(29(33)23-6-4-19(3)5-7-23)26-17-27(36-28(26)30(34)35)22-11-8-20(9-12-22)24-13-10-21-14-15-31-25(21)16-24/h8-19,23,31H,4-7H2,1-3H3,(H,34,35)