methyl 4-[[4-(3-oxidanylidenepiperazin-1-yl)phenyl]carbamoyl]benzoate

Systemtic Name: methyl 4-[[4-(3-oxidanylidenepiperazin-1-yl)phenyl]carbamoyl]benzoate Openeye Name: methyl 4-[[4-(3-oxopiperazin-1-yl)phenyl]carbamoyl]benzoate CAS Name: 4-[oxo-[4-(3-oxo-1-piperazinyl)anilino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(3-oxopiperazin-1-yl)phenyl]carbamoyl]benzoate Traditional Name: 4-[[4-(3-ketopiperazino)phenyl]carbamoyl]benzoic acid methyl ester Formula: C19H19N3O4 MolecularWeight: 353.37186

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)N3CCNC(=O)C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)N3CCNC(=O)C3

InChI

InChI=1S/C19H19N3O4/c1-26-19(25)14-4-2-13(3-5-14)18(24)21-15-6-8-16(9-7-15)22-11-10-20-17(23)12-22/h2-9H,10-12H2,1H3,(H,20,23)(H,21,24)