ethyl 1-[3-(4-ethoxyphenyl)carbonyl-6-methyl-quinolin-4-yl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[3-(4-ethoxyphenyl)carbonyl-6-methyl-quinolin-4-yl]piperidine-3-carboxylate Openeye Name: ethyl 1-[3-(4-ethoxybenzoyl)-6-methyl-4-quinolyl]piperidine-3-carboxylate CAS Name: 1-[3-[(4-ethoxyphenyl)-oxomethyl]-6-methyl-4-quinolinyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-(4-ethoxybenzoyl)-6-methylquinolin-4-yl]piperidine-3-carboxylate Traditional Name: 1-[3-(4-ethoxybenzoyl)-6-methyl-4-quinolyl]nipecotic acid ethyl ester Formula: C27H30N2O4 MolecularWeight: 446.5381

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)C2=CN=C3C=CC(=CC3=C2N4CCCC(C4)C(=O)OCC)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)C2=CN=C3C=CC(=CC3=C2N4CCCC(C4)C(=O)OCC)C

InChI

InChI=1S/C27H30N2O4/c1-4-32-21-11-9-19(10-12-21)26(30)23-16-28-24-13-8-18(3)15-22(24)25(23)29-14-6-7-20(17-29)27(31)33-5-2/h8-13,15-16,20H,4-7,14,17H2,1-3H3