4-[3-oxidanylidene-3-[(phenylmethyl)amino]-2-[(phenylmethyl)carbamoyl]prop-1-enyl]benzoate

Systemtic Name: 4-[3-oxidanylidene-3-[(phenylmethyl)amino]-2-[(phenylmethyl)carbamoyl]prop-1-enyl]benzoate Openeye Name: 4-[3-(benzylamino)-2-(benzylcarbamoyl)-3-oxo-prop-1-enyl]benzoate CAS Name: 4-[3-oxo-2-[oxo-[(phenylmethyl)amino]methyl]-3-[(phenylmethyl)amino]prop-1-enyl]benzoate IUPAC Name: 4-[3-(benzylamino)-2-(benzylcarbamoyl)-3-oxoprop-1-enyl]benzoate Traditional Name: 4-[3-(benzylamino)-2-(benzylcarbamoyl)-3-keto-prop-1-enyl]benzoate Formula: C25H21N2O4- MolecularWeight: 413.44524

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)C(=CC2=CC=C(C=C2)C(=O)[O-])C(=O)NCC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)C(=CC2=CC=C(C=C2)C(=O)[O-])C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C25H22N2O4/c28-23(26-16-19-7-3-1-4-8-19)22(15-18-11-13-21(14-12-18)25(30)31)24(29)27-17-20-9-5-2-6-10-20/h1-15H,16-17H2,(H,26,28)(H,27,29)(H,30,31)/p-1