[2-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 1-pyrimidin-2-ylpiperidine-3-carboxylate

Systemtic Name: [2-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 1-pyrimidin-2-ylpiperidine-3-carboxylate Openeye Name: [2-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl] 1-pyrimidin-2-ylpiperidine-3-carboxylate CAS Name: 1-(2-pyrimidinyl)-3-piperidinecarboxylic acid [2-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 1-pyrimidin-2-ylpiperidine-3-carboxylate Traditional Name: 1-(2-pyrimidyl)nipecotic acid [2-keto-2-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dimethyl-pyrrol-3-yl]ethyl] ester Formula: C27H32N4O4 MolecularWeight: 476.56738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCC2=CC=C(C=C2)OC)C)C(=O)COC(=O)C3CCCN(C3)C4=NC=CC=N4

Isomeric SMILES

CC1=CC(=C(N1CCC2=CC=C(C=C2)OC)C)C(=O)COC(=O)C3CCCN(C3)C4=NC=CC=N4

InChI

InChI=1S/C27H32N4O4/c1-19-16-24(20(2)31(19)15-11-21-7-9-23(34-3)10-8-21)25(32)18-35-26(33)22-6-4-14-30(17-22)27-28-12-5-13-29-27/h5,7-10,12-13,16,22H,4,6,11,14-15,17-18H2,1-3H3