(2-chloranylquinolin-3-yl)methyl (E)-2-cyano-3-(4-dimethylaminophenyl)prop-2-enoate

Systemtic Name: (2-chloranylquinolin-3-yl)methyl (E)-2-cyano-3-(4-dimethylaminophenyl)prop-2-enoate Openeye Name: (2-chloro-3-quinolyl)methyl (E)-2-cyano-3-(4-dimethylaminophenyl)prop-2-enoate CAS Name: (E)-2-cyano-3-(4-dimethylaminophenyl)-2-propenoic acid (2-chloro-3-quinolinyl)methyl ester IUPAC Name: (2-chloroquinolin-3-yl)methyl (E)-2-cyano-3-(4-dimethylaminophenyl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(4-dimethylaminophenyl)acrylic acid (2-chloro-3-quinolyl)methyl ester Formula: C22H18ClN3O2 MolecularWeight: 391.85022

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C=C(C#N)C(=O)OCC2=CC3=CC=CC=C3N=C2Cl

Isomeric SMILES

CN(C)C1=CC=C(C=C1)/C=C(\C#N)/C(=O)OCC2=CC3=CC=CC=C3N=C2Cl

InChI

InChI=1S/C22H18ClN3O2/c1-26(2)19-9-7-15(8-10-19)11-17(13-24)22(27)28-14-18-12-16-5-3-4-6-20(16)25-21(18)23/h3-12H,14H2,1-2H3/b17-11+