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

Systemtic Name: ethyl 1-[1-(4-fluorophenyl)-5-(3-methoxyphenyl)-2-methyl-pyrrol-3-yl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[1-(4-fluorophenyl)-5-(3-methoxyphenyl)-2-methyl-pyrrole-3-carbonyl]piperidine-3-carboxylate CAS Name: 1-[[1-(4-fluorophenyl)-5-(3-methoxyphenyl)-2-methyl-3-pyrrolyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[1-(4-fluorophenyl)-5-(3-methoxyphenyl)-2-methylpyrrole-3-carbonyl]piperidine-3-carboxylate Traditional Name: 1-[1-(4-fluorophenyl)-5-(3-methoxyphenyl)-2-methyl-pyrrole-3-carbonyl]nipecotic acid ethyl ester Formula: C27H29FN2O4 MolecularWeight: 464.528563

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=C(N(C(=C2)C3=CC(=CC=C3)OC)C4=CC=C(C=C4)F)C

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C2=C(N(C(=C2)C3=CC(=CC=C3)OC)C4=CC=C(C=C4)F)C

InChI

InChI=1S/C27H29FN2O4/c1-4-34-27(32)20-8-6-14-29(17-20)26(31)24-16-25(19-7-5-9-23(15-19)33-3)30(18(24)2)22-12-10-21(28)11-13-22/h5,7,9-13,15-16,20H,4,6,8,14,17H2,1-3H3