4-[2-(3,4-dimethoxyphenyl)ethylamino]-2,3-dimethyl-4-oxidanylidene-but-2-enoic acid

Systemtic Name: 4-[2-(3,4-dimethoxyphenyl)ethylamino]-2,3-dimethyl-4-oxidanylidene-but-2-enoic acid Openeye Name: 4-[2-(3,4-dimethoxyphenyl)ethylamino]-2,3-dimethyl-4-oxo-but-2-enoic acid CAS Name: 4-[2-(3,4-dimethoxyphenyl)ethylamino]-2,3-dimethyl-4-oxo-2-butenoic acid IUPAC Name: 4-[2-(3,4-dimethoxyphenyl)ethylamino]-2,3-dimethyl-4-oxobut-2-enoic acid Traditional Name: 4-(homoveratrylamino)-4-keto-2,3-dimethyl-but-2-enoic acid Formula: C16H21NO5 MolecularWeight: 307.34164

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C)C(=O)O)C(=O)NCCC1=CC(=C(C=C1)OC)OC

Isomeric SMILES

CC(=C(C)C(=O)O)C(=O)NCCC1=CC(=C(C=C1)OC)OC

InChI

InChI=1S/C16H21NO5/c1-10(11(2)16(19)20)15(18)17-8-7-12-5-6-13(21-3)14(9-12)22-4/h5-6,9H,7-8H2,1-4H3,(H,17,18)(H,19,20)