[4-[(Z)-2-cyano-3-oxidanylidene-3-(pyridin-4-ylmethylamino)prop-1-enyl]phenyl] benzoate

Systemtic Name: [4-[(Z)-2-cyano-3-oxidanylidene-3-(pyridin-4-ylmethylamino)prop-1-enyl]phenyl] benzoate Openeye Name: [4-[(Z)-2-cyano-3-oxo-3-(4-pyridylmethylamino)prop-1-enyl]phenyl] benzoate CAS Name: benzoic acid [4-[(Z)-2-cyano-3-oxo-3-(pyridin-4-ylmethylamino)prop-1-enyl]phenyl] ester IUPAC Name: [4-[(Z)-2-cyano-3-oxo-3-(pyridin-4-ylmethylamino)prop-1-enyl]phenyl] benzoate Traditional Name: benzoic acid [4-[(Z)-2-cyano-3-keto-3-(4-pyridylmethylamino)prop-1-enyl]phenyl] ester Formula: C23H17N3O3 MolecularWeight: 383.39938

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C=C(C#N)C(=O)NCC3=CC=NC=C3

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)/C=C(/C#N)\C(=O)NCC3=CC=NC=C3

InChI

InChI=1S/C23H17N3O3/c24-15-20(22(27)26-16-18-10-12-25-13-11-18)14-17-6-8-21(9-7-17)29-23(28)19-4-2-1-3-5-19/h1-14H,16H2,(H,26,27)/b20-14-