(phenylmethyl) 4-[5-[3,4-bis(fluoranyl)-2-methyl-phenyl]-3-ethoxycarbonyl-4-pyridin-4-yl-1H-pyrrol-2-yl]piperidine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-[5-[3,4-bis(fluoranyl)-2-methyl-phenyl]-3-ethoxycarbonyl-4-pyridin-4-yl-1H-pyrrol-2-yl]piperidine-1-carboxylate Openeye Name: benzyl 4-[5-(3,4-difluoro-2-methyl-phenyl)-3-ethoxycarbonyl-4-(4-pyridyl)-1H-pyrrol-2-yl]piperidine-1-carboxylate CAS Name: 4-[5-(3,4-difluoro-2-methylphenyl)-3-ethoxycarbonyl-4-pyridin-4-yl-1H-pyrrol-2-yl]-1-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[5-(3,4-difluoro-2-methylphenyl)-3-ethoxycarbonyl-4-pyridin-4-yl-1H-pyrrol-2-yl]piperidine-1-carboxylate Traditional Name: 4-[3-carbethoxy-5-(3,4-difluoro-2-methyl-phenyl)-4-(4-pyridyl)-1H-pyrrol-2-yl]piperidine-1-carboxylic acid benzyl ester Formula: C32H31F2N3O4 MolecularWeight: 559.603046

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C2=CC=NC=C2)C3=C(C(=C(C=C3)F)F)C)C4CCN(CC4)C(=O)OCC5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C2=CC=NC=C2)C3=C(C(=C(C=C3)F)F)C)C4CCN(CC4)C(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C32H31F2N3O4/c1-3-40-31(38)27-26(22-11-15-35-16-12-22)30(24-9-10-25(33)28(34)20(24)2)36-29(27)23-13-17-37(18-14-23)32(39)41-19-21-7-5-4-6-8-21/h4-12,15-16,23,36H,3,13-14,17-19H2,1-2H3