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

Systemtic Name: ethyl 1-[3,5-dimethyl-1-[(3-methylphenyl)methyl]-4-morpholin-4-yl-pyrrol-2-yl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[3,5-dimethyl-4-morpholino-1-(m-tolylmethyl)pyrrole-2-carbonyl]piperidine-3-carboxylate CAS Name: 1-[[3,5-dimethyl-1-[(3-methylphenyl)methyl]-4-(4-morpholinyl)-2-pyrrolyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3,5-dimethyl-1-[(3-methylphenyl)methyl]-4-morpholin-4-ylpyrrole-2-carbonyl]piperidine-3-carboxylate Traditional Name: 1-[3,5-dimethyl-1-(3-methylbenzyl)-4-morpholino-pyrrole-2-carbonyl]nipecotic acid ethyl ester Formula: C27H37N3O4 MolecularWeight: 467.60038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H37N3O4/c1-5-34-27(32)23-10-7-11-29(18-23)26(31)25-20(3)24(28-12-14-33-15-13-28)21(4)30(25)17-22-9-6-8-19(2)16-22/h6,8-9,16,23H,5,7,10-15,17-18H2,1-4H3