[2-oxidanylidene-2-(propylcarbamoylamino)ethyl] 4-methyl-3-pyrrol-1-yl-benzoate

Systemtic Name: [2-oxidanylidene-2-(propylcarbamoylamino)ethyl] 4-methyl-3-pyrrol-1-yl-benzoate Openeye Name: [2-oxo-2-(propylcarbamoylamino)ethyl] 4-methyl-3-pyrrol-1-yl-benzoate CAS Name: 4-methyl-3-(1-pyrrolyl)benzoic acid [2-oxo-2-[[oxo(propylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(propylcarbamoylamino)ethyl] 4-methyl-3-pyrrol-1-ylbenzoate Traditional Name: 4-methyl-3-pyrrol-1-yl-benzoic acid [2-keto-2-(propylcarbamoylamino)ethyl] ester Formula: C18H21N3O4 MolecularWeight: 343.37704

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)NC(=O)COC(=O)C1=CC(=C(C=C1)C)N2C=CC=C2

Isomeric SMILES

CCCNC(=O)NC(=O)COC(=O)C1=CC(=C(C=C1)C)N2C=CC=C2

InChI

InChI=1S/C18H21N3O4/c1-3-8-19-18(24)20-16(22)12-25-17(23)14-7-6-13(2)15(11-14)21-9-4-5-10-21/h4-7,9-11H,3,8,12H2,1-2H3,(H2,19,20,22,24)