ethyl 3-[(3-methoxyphenyl)methyl]-1-[3-(2-methylimidazol-1-yl)propanoyl]piperidine-3-carboxylate

Systemtic Name: ethyl 3-[(3-methoxyphenyl)methyl]-1-[3-(2-methylimidazol-1-yl)propanoyl]piperidine-3-carboxylate Openeye Name: ethyl 3-[(3-methoxyphenyl)methyl]-1-[3-(2-methylimidazol-1-yl)propanoyl]piperidine-3-carboxylate CAS Name: 3-[(3-methoxyphenyl)methyl]-1-[3-(2-methyl-1-imidazolyl)-1-oxopropyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(3-methoxyphenyl)methyl]-1-[3-(2-methylimidazol-1-yl)propanoyl]piperidine-3-carboxylate Traditional Name: 3-m-anisyl-1-[3-(2-methylimidazol-1-yl)propanoyl]nipecotic acid ethyl ester Formula: C23H31N3O4 MolecularWeight: 413.50994

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)C(=O)CCN2C=CN=C2C)CC3=CC(=CC=C3)OC

Isomeric SMILES

CCOC(=O)C1(CCCN(C1)C(=O)CCN2C=CN=C2C)CC3=CC(=CC=C3)OC

InChI

InChI=1S/C23H31N3O4/c1-4-30-22(28)23(16-19-7-5-8-20(15-19)29-3)10-6-12-26(17-23)21(27)9-13-25-14-11-24-18(25)2/h5,7-8,11,14-15H,4,6,9-10,12-13,16-17H2,1-3H3