[2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl] 4-[(propan-2-ylcarbamoylamino)methyl]benzoate

Systemtic Name: [2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl] 4-[(propan-2-ylcarbamoylamino)methyl]benzoate Openeye Name: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 4-[(isopropylcarbamoylamino)methyl]benzoate CAS Name: 4-[[[oxo-(propan-2-ylamino)methyl]amino]methyl]benzoic acid [2-oxo-2-(1H-pyrrol-2-yl)ethyl] ester IUPAC Name: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 4-[(propan-2-ylcarbamoylamino)methyl]benzoate Traditional Name: 4-[(isopropylcarbamoylamino)methyl]benzoic acid [2-keto-2-(1H-pyrrol-2-yl)ethyl] ester Formula: C18H21N3O4 MolecularWeight: 343.37704

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NCC1=CC=C(C=C1)C(=O)OCC(=O)C2=CC=CN2

Isomeric SMILES

CC(C)NC(=O)NCC1=CC=C(C=C1)C(=O)OCC(=O)C2=CC=CN2

InChI

InChI=1S/C18H21N3O4/c1-12(2)21-18(24)20-10-13-5-7-14(8-6-13)17(23)25-11-16(22)15-4-3-9-19-15/h3-9,12,19H,10-11H2,1-2H3,(H2,20,21,24)