[2-[4-(2-acetamidoethyl)phenyl]-2-oxidanylidene-ethyl] 4-(2,5-dimethylpyrrol-1-yl)benzoate

Systemtic Name: [2-[4-(2-acetamidoethyl)phenyl]-2-oxidanylidene-ethyl] 4-(2,5-dimethylpyrrol-1-yl)benzoate Openeye Name: [2-[4-(2-acetamidoethyl)phenyl]-2-oxo-ethyl] 4-(2,5-dimethylpyrrol-1-yl)benzoate CAS Name: 4-(2,5-dimethyl-1-pyrrolyl)benzoic acid [2-[4-(2-acetamidoethyl)phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(2-acetamidoethyl)phenyl]-2-oxoethyl] 4-(2,5-dimethylpyrrol-1-yl)benzoate Traditional Name: 4-(2,5-dimethylpyrrol-1-yl)benzoic acid [2-[4-(2-acetamidoethyl)phenyl]-2-keto-ethyl] ester Formula: C25H26N2O4 MolecularWeight: 418.48494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=CC=C(C=C2)C(=O)OCC(=O)C3=CC=C(C=C3)CCNC(=O)C)C

Isomeric SMILES

CC1=CC=C(N1C2=CC=C(C=C2)C(=O)OCC(=O)C3=CC=C(C=C3)CCNC(=O)C)C

InChI

InChI=1S/C25H26N2O4/c1-17-4-5-18(2)27(17)23-12-10-22(11-13-23)25(30)31-16-24(29)21-8-6-20(7-9-21)14-15-26-19(3)28/h4-13H,14-16H2,1-3H3,(H,26,28)