(E)-4-[(3,4-dimethoxyphenyl)methyl-prop-2-enyl-amino]-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-4-[(3,4-dimethoxyphenyl)methyl-prop-2-enyl-amino]-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-[allyl-[(3,4-dimethoxyphenyl)methyl]amino]-4-oxo-but-2-enoic acid CAS Name: (E)-4-[(3,4-dimethoxyphenyl)methyl-prop-2-enylamino]-4-oxo-2-butenoic acid IUPAC Name: (E)-4-[(3,4-dimethoxyphenyl)methyl-prop-2-enylamino]-4-oxobut-2-enoic acid Traditional Name: (E)-4-[allyl(veratryl)amino]-4-keto-but-2-enoic acid Formula: C16H19NO5 MolecularWeight: 305.32576

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN(CC=C)C(=O)C=CC(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CN(CC=C)C(=O)/C=C/C(=O)O)OC

InChI

InChI=1S/C16H19NO5/c1-4-9-17(15(18)7-8-16(19)20)11-12-5-6-13(21-2)14(10-12)22-3/h4-8,10H,1,9,11H2,2-3H3,(H,19,20)/b8-7+