methyl 4-[4-methoxy-3-[[(2-phenylpiperidin-3-yl)amino]methyl]phenyl]-4-methyl-pent-2-ynoate dihydrochloride

Systemtic Name: methyl 4-[4-methoxy-3-[[(2-phenylpiperidin-3-yl)amino]methyl]phenyl]-4-methyl-pent-2-ynoate dihydrochloride Openeye Name: methyl 4-[4-methoxy-3-[[(2-phenyl-3-piperidyl)amino]methyl]phenyl]-4-methyl-pent-2-ynoate dihydrochloride CAS Name: 4-[4-methoxy-3-[[(2-phenyl-3-piperidinyl)amino]methyl]phenyl]-4-methyl-2-pentynoic acid methyl ester dihydrochloride IUPAC Name: methyl 4-[4-methoxy-3-[[(2-phenylpiperidin-3-yl)amino]methyl]phenyl]-4-methylpent-2-ynoate dihydrochloride Traditional Name: 4-[4-methoxy-3-[[(2-phenyl-3-piperidyl)amino]methyl]phenyl]-4-methyl-pent-2-ynoic acid methyl ester dihydrochloride Formula: C26H34Cl2N2O3 MolecularWeight: 493.46576

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#CC(=O)OC)C1=CC(=C(C=C1)OC)CNC2CCCNC2C3=CC=CC=C3.Cl.Cl

Isomeric SMILES

CC(C)(C#CC(=O)OC)C1=CC(=C(C=C1)OC)CNC2CCCNC2C3=CC=CC=C3.Cl.Cl

InChI

InChI=1S/C26H32N2O3.2ClH/c1-26(2,15-14-24(29)31-4)21-12-13-23(30-3)20(17-21)18-28-22-11-8-16-27-25(22)19-9-6-5-7-10-19;;/h5-7,9-10,12-13,17,22,25,27-28H,8,11,16,18H2,1-4H3;2*1H