4-[(E)-2-(1H-benzimidazol-2-yl)-3-oxidanylidene-3-[(phenylmethyl)amino]prop-1-enyl]benzoate

Systemtic Name: 4-[(E)-2-(1H-benzimidazol-2-yl)-3-oxidanylidene-3-[(phenylmethyl)amino]prop-1-enyl]benzoate Openeye Name: 4-[(E)-2-(1H-benzimidazol-2-yl)-3-(benzylamino)-3-oxo-prop-1-enyl]benzoate CAS Name: 4-[(E)-2-(1H-benzimidazol-2-yl)-3-oxo-3-[(phenylmethyl)amino]prop-1-enyl]benzoate IUPAC Name: 4-[(E)-2-(1H-benzimidazol-2-yl)-3-(benzylamino)-3-oxoprop-1-enyl]benzoate Traditional Name: 4-[(E)-2-(1H-benzimidazol-2-yl)-3-(benzylamino)-3-keto-prop-1-enyl]benzoate Formula: C24H18N3O3- MolecularWeight: 396.41802

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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-])C3=NC4=CC=CC=C4N3

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)/C(=C/C2=CC=C(C=C2)C(=O)[O-])/C3=NC4=CC=CC=C4N3

InChI

InChI=1S/C24H19N3O3/c28-23(25-15-17-6-2-1-3-7-17)19(14-16-10-12-18(13-11-16)24(29)30)22-26-20-8-4-5-9-21(20)27-22/h1-14H,15H2,(H,25,28)(H,26,27)(H,29,30)/p-1/b19-14+