(E)-4-[(4-butoxy-3-methoxy-phenyl)methylamino]-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-4-[(4-butoxy-3-methoxy-phenyl)methylamino]-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-[(4-butoxy-3-methoxy-phenyl)methylamino]-4-oxo-but-2-enoic acid CAS Name: (E)-4-[(4-butoxy-3-methoxyphenyl)methylamino]-4-oxo-2-butenoic acid IUPAC Name: (E)-4-[(4-butoxy-3-methoxyphenyl)methylamino]-4-oxobut-2-enoic acid Traditional Name: (E)-4-[(4-butoxy-3-methoxy-benzyl)amino]-4-keto-but-2-enoic acid Formula: C16H21NO5 MolecularWeight: 307.34164

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)CNC(=O)C=CC(=O)O)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)CNC(=O)/C=C/C(=O)O)OC

InChI

InChI=1S/C16H21NO5/c1-3-4-9-22-13-6-5-12(10-14(13)21-2)11-17-15(18)7-8-16(19)20/h5-8,10H,3-4,9,11H2,1-2H3,(H,17,18)(H,19,20)/b8-7+