(Z)-2-methoxycarbonyl-3-phenyl-but-2-enoic acid; 6-methylheptyl (E)-3-cyano-2,3-diphenyl-prop-2-enoate

Systemtic Name: (Z)-2-methoxycarbonyl-3-phenyl-but-2-enoic acid; 6-methylheptyl (E)-3-cyano-2,3-diphenyl-prop-2-enoate Openeye Name: (Z)-2-methoxycarbonyl-3-phenyl-but-2-enoic acid; 6-methylheptyl (E)-3-cyano-2,3-diphenyl-prop-2-enoate CAS Name: (E)-3-cyano-2,3-diphenyl-2-propenoic acid 6-methylheptyl ester; (Z)-2-methoxycarbonyl-3-phenyl-2-butenoic acid IUPAC Name: (Z)-2-methoxycarbonyl-3-phenylbut-2-enoic acid; 6-methylheptyl (E)-3-cyano-2,3-diphenylprop-2-enoate Traditional Name: (Z)-2-carbomethoxy-3-phenyl-but-2-enoic acid; (E)-3-cyano-2,3-diphenyl-acrylic acid 6-methylheptyl ester Formula: C36H39NO6 MolecularWeight: 581.69796

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCOC(=O)C(=C(C#N)C1=CC=CC=C1)C2=CC=CC=C2.CC(=C(C(=O)O)C(=O)OC)C1=CC=CC=C1

Isomeric SMILES

CC(C)CCCCCOC(=O)/C(=C(/C#N)\C1=CC=CC=C1)/C2=CC=CC=C2.C/C(=C(\C(=O)O)/C(=O)OC)/C1=CC=CC=C1

InChI

InChI=1S/C24H27NO2.C12H12O4/c1-19(2)12-6-5-11-17-27-24(26)23(21-15-9-4-10-16-21)22(18-25)20-13-7-3-8-14-20;1-8(9-6-4-3-5-7-9)10(11(13)14)12(15)16-2/h3-4,7-10,13-16,19H,5-6,11-12,17H2,1-2H3;3-7H,1-2H3,(H,13,14)/b23-22-;10-8-