4-oxidanylidene-2,3-bis(phenylcarbonyloxy)-4-[(phenylmethyl)amino]butanoate

Systemtic Name: 4-oxidanylidene-2,3-bis(phenylcarbonyloxy)-4-[(phenylmethyl)amino]butanoate Openeye Name: 2,3-dibenzoyloxy-4-(benzylamino)-4-oxo-butanoate CAS Name: 2,3-dibenzoyloxy-4-oxo-4-[(phenylmethyl)amino]butanoate IUPAC Name: 2,3-dibenzoyloxy-4-(benzylamino)-4-oxobutanoate Traditional Name: 2,3-dibenzoyloxy-4-(benzylamino)-4-keto-butyrate Formula: C25H20NO7- MolecularWeight: 446.4288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)C(C(C(=O)[O-])OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)C(C(C(=O)[O-])OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C25H21NO7/c27-22(26-16-17-10-4-1-5-11-17)20(32-24(30)18-12-6-2-7-13-18)21(23(28)29)33-25(31)19-14-8-3-9-15-19/h1-15,20-21H,16H2,(H,26,27)(H,28,29)/p-1