methyl (E,2E)-3-aminocarbonyl-2-(phenylmethylidene)-4-(3,4,5-trimethoxyphenyl)but-3-enoate

Systemtic Name: methyl (E,2E)-3-aminocarbonyl-2-(phenylmethylidene)-4-(3,4,5-trimethoxyphenyl)but-3-enoate Openeye Name: methyl (E,2E)-2-benzylidene-3-carbamoyl-4-(3,4,5-trimethoxyphenyl)but-3-enoate CAS Name: (E,2E)-3-carbamoyl-2-(phenylmethylene)-4-(3,4,5-trimethoxyphenyl)-3-butenoic acid methyl ester IUPAC Name: methyl (E,2E)-2-benzylidene-3-carbamoyl-4-(3,4,5-trimethoxyphenyl)but-3-enoate Traditional Name: (E,2E)-2-benzal-3-carbamoyl-4-(3,4,5-trimethoxyphenyl)but-3-enoic acid methyl ester Formula: C22H23NO6 MolecularWeight: 397.42112

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C=C(C(=CC2=CC=CC=C2)C(=O)OC)C(=O)N

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)/C=C(\C(=C/C2=CC=CC=C2)\C(=O)OC)/C(=O)N

InChI

InChI=1S/C22H23NO6/c1-26-18-12-15(13-19(27-2)20(18)28-3)11-16(21(23)24)17(22(25)29-4)10-14-8-6-5-7-9-14/h5-13H,1-4H3,(H2,23,24)/b16-11+,17-10+