[1-oxidanylidene-1-[(phenylmethyl)carbamoylamino]propan-2-yl] 4-pyrrol-1-ylbenzoate

Systemtic Name: [1-oxidanylidene-1-[(phenylmethyl)carbamoylamino]propan-2-yl] 4-pyrrol-1-ylbenzoate Openeye Name: [2-(benzylcarbamoylamino)-1-methyl-2-oxo-ethyl] 4-pyrrol-1-ylbenzoate CAS Name: 4-(1-pyrrolyl)benzoic acid [1-oxo-1-[[oxo-[(phenylmethyl)amino]methyl]amino]propan-2-yl] ester IUPAC Name: [1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 4-pyrrol-1-ylbenzoate Traditional Name: 4-pyrrol-1-ylbenzoic acid [2-(benzylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C22H21N3O4 MolecularWeight: 391.41984

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NCC1=CC=CC=C1)OC(=O)C2=CC=C(C=C2)N3C=CC=C3

Isomeric SMILES

CC(C(=O)NC(=O)NCC1=CC=CC=C1)OC(=O)C2=CC=C(C=C2)N3C=CC=C3

InChI

InChI=1S/C22H21N3O4/c1-16(20(26)24-22(28)23-15-17-7-3-2-4-8-17)29-21(27)18-9-11-19(12-10-18)25-13-5-6-14-25/h2-14,16H,15H2,1H3,(H2,23,24,26,28)