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

Systemtic Name: 2-[4-(dimethylamino)-4-pyridin-2-yl-cyclohexyl]-3-(1H-indol-3-yl)propanoic acid dihydrochloride Openeye Name: 2-[4-(dimethylamino)-4-(2-pyridyl)cyclohexyl]-3-(1H-indol-3-yl)propanoic acid dihydrochloride CAS Name: 2-[4-(dimethylamino)-4-(2-pyridinyl)cyclohexyl]-3-(1H-indol-3-yl)propanoic acid dihydrochloride IUPAC Name: 2-[4-(dimethylamino)-4-pyridin-2-ylcyclohexyl]-3-(1H-indol-3-yl)propanoic acid dihydrochloride Traditional Name: 2-[4-(dimethylamino)-4-(2-pyridyl)cyclohexyl]-3-(1H-indol-3-yl)propionic acid dihydrochloride Formula: C24H31Cl2N3O2 MolecularWeight: 464.42784

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1(CCC(CC1)C(CC2=CNC3=CC=CC=C32)C(=O)O)C4=CC=CC=N4.Cl.Cl

Isomeric SMILES

CN(C)C1(CCC(CC1)C(CC2=CNC3=CC=CC=C32)C(=O)O)C4=CC=CC=N4.Cl.Cl

InChI

InChI=1S/C24H29N3O2.2ClH/c1-27(2)24(22-9-5-6-14-25-22)12-10-17(11-13-24)20(23(28)29)15-18-16-26-21-8-4-3-7-19(18)21;;/h3-9,14,16-17,20,26H,10-13,15H2,1-2H3,(H,28,29);2*1H