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

Systemtic Name: 2-[[4-(dimethylamino)-4-phenyl-cyclohexyl]amino]-3-(1H-indol-3-yl)propanoic acid Openeye Name: 2-[[4-(dimethylamino)-4-phenyl-cyclohexyl]amino]-3-(1H-indol-3-yl)propanoic acid CAS Name: 2-[[4-(dimethylamino)-4-phenylcyclohexyl]amino]-3-(1H-indol-3-yl)propanoic acid IUPAC Name: 2-[[4-(dimethylamino)-4-phenylcyclohexyl]amino]-3-(1H-indol-3-yl)propanoic acid Traditional Name: 2-[[4-(dimethylamino)-4-phenyl-cyclohexyl]amino]-3-(1H-indol-3-yl)propionic acid Formula: C25H31N3O2 MolecularWeight: 405.53254

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)O)C4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C25H31N3O2/c1-28(2)25(19-8-4-3-5-9-19)14-12-20(13-15-25)27-23(24(29)30)16-18-17-26-22-11-7-6-10-21(18)22/h3-11,17,20,23,26-27H,12-16H2,1-2H3,(H,29,30)