[4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-ethenyl]-2-methoxy-phenyl] 2-chloranylquinoline-3-carboxylate

Systemtic Name: [4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-ethenyl]-2-methoxy-phenyl] 2-chloranylquinoline-3-carboxylate Openeye Name: [4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-vinyl]-2-methoxy-phenyl] 2-chloroquinoline-3-carboxylate CAS Name: 2-chloro-3-quinolinecarboxylic acid [4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-2-methoxyphenyl] 2-chloroquinoline-3-carboxylate Traditional Name: 2-chloroquinoline-3-carboxylic acid [4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-vinyl]-2-methoxy-phenyl] ester Formula: C27H17ClN4O3 MolecularWeight: 480.90188

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C(C#N)C2=NC3=CC=CC=C3N2)OC(=O)C4=CC5=CC=CC=C5N=C4Cl

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C(\C#N)/C2=NC3=CC=CC=C3N2)OC(=O)C4=CC5=CC=CC=C5N=C4Cl

InChI

InChI=1S/C27H17ClN4O3/c1-34-24-13-16(12-18(15-29)26-31-21-8-4-5-9-22(21)32-26)10-11-23(24)35-27(33)19-14-17-6-2-3-7-20(17)30-25(19)28/h2-14H,1H3,(H,31,32)/b18-12+