[3-oxidanylidene-3-[(phenylmethyl)carbamoylamino]propyl] 4-(2,5-dimethylpyrrol-1-yl)benzoate

Systemtic Name: [3-oxidanylidene-3-[(phenylmethyl)carbamoylamino]propyl] 4-(2,5-dimethylpyrrol-1-yl)benzoate Openeye Name: [3-(benzylcarbamoylamino)-3-oxo-propyl] 4-(2,5-dimethylpyrrol-1-yl)benzoate CAS Name: 4-(2,5-dimethyl-1-pyrrolyl)benzoic acid [3-oxo-3-[[oxo-[(phenylmethyl)amino]methyl]amino]propyl] ester IUPAC Name: [3-(benzylcarbamoylamino)-3-oxopropyl] 4-(2,5-dimethylpyrrol-1-yl)benzoate Traditional Name: 4-(2,5-dimethylpyrrol-1-yl)benzoic acid [3-(benzylcarbamoylamino)-3-keto-propyl] ester Formula: C24H25N3O4 MolecularWeight: 419.473

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=CC=C(C=C2)C(=O)OCCC(=O)NC(=O)NCC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC=C(N1C2=CC=C(C=C2)C(=O)OCCC(=O)NC(=O)NCC3=CC=CC=C3)C

InChI

InChI=1S/C24H25N3O4/c1-17-8-9-18(2)27(17)21-12-10-20(11-13-21)23(29)31-15-14-22(28)26-24(30)25-16-19-6-4-3-5-7-19/h3-13H,14-16H2,1-2H3,(H2,25,26,28,30)