[2-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-2-oxidanylidene-ethyl] 4-(acetamidomethyl)benzoate

Systemtic Name: [2-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-2-oxidanylidene-ethyl] 4-(acetamidomethyl)benzoate Openeye Name: [2-[2,5-dimethyl-1-(p-tolyl)pyrrol-3-yl]-2-oxo-ethyl] 4-(acetamidomethyl)benzoate CAS Name: 4-(acetamidomethyl)benzoic acid [2-[2,5-dimethyl-1-(4-methylphenyl)-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-2-oxoethyl] 4-(acetamidomethyl)benzoate Traditional Name: 4-(acetamidomethyl)benzoic acid [2-[2,5-dimethyl-1-(p-tolyl)pyrrol-3-yl]-2-keto-ethyl] ester Formula: C25H26N2O4 MolecularWeight: 418.48494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=CC(=C2C)C(=O)COC(=O)C3=CC=C(C=C3)CNC(=O)C)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=CC(=C2C)C(=O)COC(=O)C3=CC=C(C=C3)CNC(=O)C)C

InChI

InChI=1S/C25H26N2O4/c1-16-5-11-22(12-6-16)27-17(2)13-23(18(27)3)24(29)15-31-25(30)21-9-7-20(8-10-21)14-26-19(4)28/h5-13H,14-15H2,1-4H3,(H,26,28)