ethyl 1-[1-[(3-fluorophenyl)methyl]-3,5-dimethyl-4-morpholin-4-yl-pyrrol-2-yl]carbonylpiperidine-3-carboxylate

Systemtic Name: ethyl 1-[1-[(3-fluorophenyl)methyl]-3,5-dimethyl-4-morpholin-4-yl-pyrrol-2-yl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[1-[(3-fluorophenyl)methyl]-3,5-dimethyl-4-morpholino-pyrrole-2-carbonyl]piperidine-3-carboxylate CAS Name: 1-[[1-[(3-fluorophenyl)methyl]-3,5-dimethyl-4-(4-morpholinyl)-2-pyrrolyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[1-[(3-fluorophenyl)methyl]-3,5-dimethyl-4-morpholin-4-ylpyrrole-2-carbonyl]piperidine-3-carboxylate Traditional Name: 1-[1-(3-fluorobenzyl)-3,5-dimethyl-4-morpholino-pyrrole-2-carbonyl]nipecotic acid ethyl ester Formula: C26H34FN3O4 MolecularWeight: 471.564263

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=C(C(=C(N2CC3=CC(=CC=C3)F)C)N4CCOCC4)C

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C2=C(C(=C(N2CC3=CC(=CC=C3)F)C)N4CCOCC4)C

InChI

InChI=1S/C26H34FN3O4/c1-4-34-26(32)21-8-6-10-29(17-21)25(31)24-18(2)23(28-11-13-33-14-12-28)19(3)30(24)16-20-7-5-9-22(27)15-20/h5,7,9,15,21H,4,6,8,10-14,16-17H2,1-3H3