methyl 4-[ethyl-(1-phenylpiperidin-2-yl)carbonyl-amino]piperidine-2-carboxylate dihydrochloride

Systemtic Name: methyl 4-[ethyl-(1-phenylpiperidin-2-yl)carbonyl-amino]piperidine-2-carboxylate dihydrochloride Openeye Name: methyl 4-[ethyl-(1-phenylpiperidine-2-carbonyl)amino]piperidine-2-carboxylate dihydrochloride CAS Name: 4-[ethyl-[oxo-(1-phenyl-2-piperidinyl)methyl]amino]-2-piperidinecarboxylic acid methyl ester dihydrochloride IUPAC Name: methyl 4-[ethyl-(1-phenylpiperidine-2-carbonyl)amino]piperidine-2-carboxylate dihydrochloride Traditional Name: 4-[ethyl-(1-phenylpipecoloyl)amino]pipecolinic acid methyl ester dihydrochloride Formula: C21H33Cl2N3O3 MolecularWeight: 446.41102

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1CCNC(C1)C(=O)OC)C(=O)C2CCCCN2C3=CC=CC=C3.Cl.Cl

Isomeric SMILES

CCN(C1CCNC(C1)C(=O)OC)C(=O)C2CCCCN2C3=CC=CC=C3.Cl.Cl

InChI

InChI=1S/C21H31N3O3.2ClH/c1-3-23(17-12-13-22-18(15-17)21(26)27-2)20(25)19-11-7-8-14-24(19)16-9-5-4-6-10-16;;/h4-6,9-10,17-19,22H,3,7-8,11-15H2,1-2H3;2*1H