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

Systemtic Name: methyl 2-[[4-(dimethylamino)-4-phenyl-cyclohexyl]amino]-3-(1H-indol-3-yl)propanoate Openeye Name: methyl 2-[[4-(dimethylamino)-4-phenyl-cyclohexyl]amino]-3-(1H-indol-3-yl)propanoate CAS Name: 2-[[4-(dimethylamino)-4-phenylcyclohexyl]amino]-3-(1H-indol-3-yl)propanoic acid methyl ester IUPAC Name: methyl 2-[[4-(dimethylamino)-4-phenylcyclohexyl]amino]-3-(1H-indol-3-yl)propanoate Traditional Name: 2-[[4-(dimethylamino)-4-phenyl-cyclohexyl]amino]-3-(1H-indol-3-yl)propionic acid methyl ester Formula: C26H33N3O2 MolecularWeight: 419.55912

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H33N3O2/c1-29(2)26(20-9-5-4-6-10-20)15-13-21(14-16-26)28-24(25(30)31-3)17-19-18-27-23-12-8-7-11-22(19)23/h4-12,18,21,24,27-28H,13-17H2,1-3H3