methyl 2-[[4-(dimethylamino)-4-phenyl-cyclohexyl]carbonylamino]-3-(1H-indol-3-yl)propanoate

Systemtic Name: methyl 2-[[4-(dimethylamino)-4-phenyl-cyclohexyl]carbonylamino]-3-(1H-indol-3-yl)propanoate Openeye Name: methyl 2-[[4-(dimethylamino)-4-phenyl-cyclohexanecarbonyl]amino]-3-(1H-indol-3-yl)propanoate CAS Name: 2-[[[4-(dimethylamino)-4-phenylcyclohexyl]-oxomethyl]amino]-3-(1H-indol-3-yl)propanoic acid methyl ester IUPAC Name: methyl 2-[[4-(dimethylamino)-4-phenylcyclohexanecarbonyl]amino]-3-(1H-indol-3-yl)propanoate Traditional Name: 2-[[4-(dimethylamino)-4-phenyl-cyclohexanecarbonyl]amino]-3-(1H-indol-3-yl)propionic acid methyl ester Formula: C27H33N3O3 MolecularWeight: 447.56922

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1(CCC(CC1)C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)OC)C4=CC=CC=C4

Isomeric SMILES

CN(C)C1(CCC(CC1)C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)OC)C4=CC=CC=C4

InChI

InChI=1S/C27H33N3O3/c1-30(2)27(21-9-5-4-6-10-21)15-13-19(14-16-27)25(31)29-24(26(32)33-3)17-20-18-28-23-12-8-7-11-22(20)23/h4-12,18-19,24,28H,13-17H2,1-3H3,(H,29,31)