dimethyl (Z)-2-[4-cyano-1-(phenylmethyl)-4H-quinolin-3-yl]but-2-enedioate

Systemtic Name: dimethyl (Z)-2-[4-cyano-1-(phenylmethyl)-4H-quinolin-3-yl]but-2-enedioate Openeye Name: dimethyl (Z)-2-(1-benzyl-4-cyano-4H-quinolin-3-yl)but-2-enedioate CAS Name: (Z)-2-[4-cyano-1-(phenylmethyl)-4H-quinolin-3-yl]-2-butenedioic acid dimethyl ester IUPAC Name: dimethyl (Z)-2-(1-benzyl-4-cyano-4H-quinolin-3-yl)but-2-enedioate Traditional Name: (Z)-2-(1-benzyl-4-cyano-4H-quinolin-3-yl)but-2-enedioic acid dimethyl ester Formula: C23H20N2O4 MolecularWeight: 388.4159

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=C(C1=CN(C2=CC=CC=C2C1C#N)CC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

COC(=O)/C=C(/C1=CN(C2=CC=CC=C2C1C#N)CC3=CC=CC=C3)\C(=O)OC

InChI

InChI=1S/C23H20N2O4/c1-28-22(26)12-18(23(27)29-2)20-15-25(14-16-8-4-3-5-9-16)21-11-7-6-10-17(21)19(20)13-24/h3-12,15,19H,14H2,1-2H3/b18-12-