[2-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 2-(4-acetamidophenyl)ethanoate

Systemtic Name: [2-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 2-(4-acetamidophenyl)ethanoate Openeye Name: [2-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-oxo-ethyl] 2-(4-acetamidophenyl)acetate CAS Name: 2-(4-acetamidophenyl)acetic acid [2-(2,5-dimethyl-1-propyl-3-pyrrolyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl] 2-(4-acetamidophenyl)acetate Traditional Name: 2-(4-acetamidophenyl)acetic acid [2-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C21H26N2O4 MolecularWeight: 370.44214

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=CC(=C1C)C(=O)COC(=O)CC2=CC=C(C=C2)NC(=O)C)C

Isomeric SMILES

CCCN1C(=CC(=C1C)C(=O)COC(=O)CC2=CC=C(C=C2)NC(=O)C)C

InChI

InChI=1S/C21H26N2O4/c1-5-10-23-14(2)11-19(15(23)3)20(25)13-27-21(26)12-17-6-8-18(9-7-17)22-16(4)24/h6-9,11H,5,10,12-13H2,1-4H3,(H,22,24)