[2-(2,5-dimethyl-1-propan-2-yl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 1-(5-methyl-2-oxidanyl-phenyl)carbonylpiperidine-4-carboxylate

Systemtic Name: [2-(2,5-dimethyl-1-propan-2-yl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 1-(5-methyl-2-oxidanyl-phenyl)carbonylpiperidine-4-carboxylate Openeye Name: [2-(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl] 1-(2-hydroxy-5-methyl-benzoyl)piperidine-4-carboxylate CAS Name: 1-[(2-hydroxy-5-methylphenyl)-oxomethyl]-4-piperidinecarboxylic acid [2-(2,5-dimethyl-1-propan-2-yl-3-pyrrolyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-oxoethyl] 1-(2-hydroxy-5-methylbenzoyl)piperidine-4-carboxylate Traditional Name: 1-(2-hydroxy-5-methyl-benzoyl)isonipecotic acid [2-(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C25H32N2O5 MolecularWeight: 440.53198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)O)C(=O)N2CCC(CC2)C(=O)OCC(=O)C3=C(N(C(=C3)C)C(C)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)O)C(=O)N2CCC(CC2)C(=O)OCC(=O)C3=C(N(C(=C3)C)C(C)C)C

InChI

InChI=1S/C25H32N2O5/c1-15(2)27-17(4)13-20(18(27)5)23(29)14-32-25(31)19-8-10-26(11-9-19)24(30)21-12-16(3)6-7-22(21)28/h6-7,12-13,15,19,28H,8-11,14H2,1-5H3