methyl 2-[ethyl-(1-phenylpiperazin-2-yl)carbonyl-amino]cyclohexane-1-carboxylate hydrochloride

Systemtic Name: methyl 2-[ethyl-(1-phenylpiperazin-2-yl)carbonyl-amino]cyclohexane-1-carboxylate hydrochloride Openeye Name: methyl 2-[ethyl-(1-phenylpiperazine-2-carbonyl)amino]cyclohexanecarboxylate hydrochloride CAS Name: 2-[ethyl-[oxo-(1-phenyl-2-piperazinyl)methyl]amino]-1-cyclohexanecarboxylic acid methyl ester hydrochloride IUPAC Name: methyl 2-[ethyl-(1-phenylpiperazine-2-carbonyl)amino]cyclohexane-1-carboxylate hydrochloride Traditional Name: 2-[ethyl-(1-phenylpiperazine-2-carbonyl)amino]cyclohexanecarboxylic acid methyl ester hydrochloride Formula: C21H32ClN3O3 MolecularWeight: 409.95008

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1CCCCC1C(=O)OC)C(=O)C2CNCCN2C3=CC=CC=C3.Cl

Isomeric SMILES

CCN(C1CCCCC1C(=O)OC)C(=O)C2CNCCN2C3=CC=CC=C3.Cl

InChI

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