methyl 4-[(E)-3-oxidanylidene-3-[(1-propylbenzimidazol-2-yl)amino]prop-1-enyl]benzoate

Systemtic Name: methyl 4-[(E)-3-oxidanylidene-3-[(1-propylbenzimidazol-2-yl)amino]prop-1-enyl]benzoate Openeye Name: methyl 4-[(E)-3-oxo-3-[(1-propylbenzimidazol-2-yl)amino]prop-1-enyl]benzoate CAS Name: 4-[(E)-3-oxo-3-[(1-propyl-2-benzimidazolyl)amino]prop-1-enyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-3-oxo-3-[(1-propylbenzimidazol-2-yl)amino]prop-1-enyl]benzoate Traditional Name: 4-[(E)-3-keto-3-[(1-propylbenzimidazol-2-yl)amino]prop-1-enyl]benzoic acid methyl ester Formula: C21H21N3O3 MolecularWeight: 363.40974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=CC=CC=C2N=C1NC(=O)C=CC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CCCN1C2=CC=CC=C2N=C1NC(=O)/C=C/C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C21H21N3O3/c1-3-14-24-18-7-5-4-6-17(18)22-21(24)23-19(25)13-10-15-8-11-16(12-9-15)20(26)27-2/h4-13H,3,14H2,1-2H3,(H,22,23,25)/b13-10+