3-[4-[[(1Z,4E)-2-ethenyl-5-methoxy-1-oxidanyl-3-oxidanylidene-hexa-1,4-dienyl]amino]phenyl]propanoic acid

Systemtic Name: 3-[4-[[(1Z,4E)-2-ethenyl-5-methoxy-1-oxidanyl-3-oxidanylidene-hexa-1,4-dienyl]amino]phenyl]propanoic acid Openeye Name: 3-[4-[[(1Z,4E)-1-hydroxy-5-methoxy-3-oxo-2-vinyl-hexa-1,4-dienyl]amino]phenyl]propanoic acid CAS Name: 3-[4-[[(1Z,4E)-2-ethenyl-1-hydroxy-5-methoxy-3-oxohexa-1,4-dienyl]amino]phenyl]propanoic acid IUPAC Name: 3-[4-[[(1Z,4E)-2-ethenyl-1-hydroxy-5-methoxy-3-oxohexa-1,4-dienyl]amino]phenyl]propanoic acid Traditional Name: 3-[4-[[(1Z,4E)-1-hydroxy-3-keto-5-methoxy-2-vinyl-hexa-1,4-dienyl]amino]phenyl]propionic acid Formula: C18H21NO5 MolecularWeight: 331.36304

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)C(=C(NC1=CC=C(C=C1)CCC(=O)O)O)C=C)OC

Isomeric SMILES

C/C(=C\C(=O)/C(=C(/NC1=CC=C(C=C1)CCC(=O)O)\O)/C=C)/OC

InChI

InChI=1S/C18H21NO5/c1-4-15(16(20)11-12(2)24-3)18(23)19-14-8-5-13(6-9-14)7-10-17(21)22/h4-6,8-9,11,19,23H,1,7,10H2,2-3H3,(H,21,22)/b12-11+,18-15-