2-[(E)-2-[4-[2-cyanoethyl(ethyl)amino]-2-methyl-phenyl]ethenyl]quinoline-4-carboxylate

Systemtic Name: 2-[(E)-2-[4-[2-cyanoethyl(ethyl)amino]-2-methyl-phenyl]ethenyl]quinoline-4-carboxylate Openeye Name: 2-[(E)-2-[4-[2-cyanoethyl(ethyl)amino]-2-methyl-phenyl]vinyl]quinoline-4-carboxylate CAS Name: 2-[(E)-2-[4-[2-cyanoethyl(ethyl)amino]-2-methylphenyl]ethenyl]-4-quinolinecarboxylate IUPAC Name: 2-[(E)-2-[4-[2-cyanoethyl(ethyl)amino]-2-methylphenyl]ethenyl]quinoline-4-carboxylate Traditional Name: 2-[(E)-2-[4-[2-cyanoethyl(ethyl)amino]-2-methyl-phenyl]vinyl]cinchoninate Formula: C24H22N3O2- MolecularWeight: 384.45038

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCC#N)C1=CC(=C(C=C1)C=CC2=NC3=CC=CC=C3C(=C2)C(=O)[O-])C

Isomeric SMILES

CCN(CCC#N)C1=CC(=C(C=C1)/C=C/C2=NC3=CC=CC=C3C(=C2)C(=O)[O-])C

InChI

InChI=1S/C24H23N3O2/c1-3-27(14-6-13-25)20-12-10-18(17(2)15-20)9-11-19-16-22(24(28)29)21-7-4-5-8-23(21)26-19/h4-5,7-12,15-16H,3,6,14H2,1-2H3,(H,28,29)/p-1/b11-9+