3-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-5-oxidanylidene-cyclopenten-1-yl]prop-2-enoic acid

Systemtic Name: 3-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-5-oxidanylidene-cyclopenten-1-yl]prop-2-enoic acid Openeye Name: 3-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-5-oxo-cyclopenten-1-yl]prop-2-enoic acid CAS Name: 3-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-5-oxo-1-cyclopentenyl]-2-propenoic acid IUPAC Name: 3-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-5-oxocyclopenten-1-yl]prop-2-enoic acid Traditional Name: 3-[2-(homoveratrylamino)-5-keto-cyclopenten-1-yl]acrylic acid Formula: C18H21NO5 MolecularWeight: 331.36304

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC2=C(C(=O)CC2)C=CC(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC2=C(C(=O)CC2)C=CC(=O)O)OC

InChI

InChI=1S/C18H21NO5/c1-23-16-7-3-12(11-17(16)24-2)9-10-19-14-5-6-15(20)13(14)4-8-18(21)22/h3-4,7-8,11,19H,5-6,9-10H2,1-2H3,(H,21,22)