(E)-4-[[4-(4-methoxyphenyl)oxan-4-yl]methylamino]-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-4-[[4-(4-methoxyphenyl)oxan-4-yl]methylamino]-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-[[4-(4-methoxyphenyl)tetrahydropyran-4-yl]methylamino]-4-oxo-but-2-enoic acid CAS Name: (E)-4-[[4-(4-methoxyphenyl)-4-oxanyl]methylamino]-4-oxo-2-butenoic acid IUPAC Name: (E)-4-[[4-(4-methoxyphenyl)oxan-4-yl]methylamino]-4-oxobut-2-enoic acid Traditional Name: (E)-4-keto-4-[[4-(4-methoxyphenyl)tetrahydropyran-4-yl]methylamino]but-2-enoic acid Formula: C17H21NO5 MolecularWeight: 319.35234

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2(CCOCC2)CNC(=O)C=CC(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C2(CCOCC2)CNC(=O)/C=C/C(=O)O

InChI

InChI=1S/C17H21NO5/c1-22-14-4-2-13(3-5-14)17(8-10-23-11-9-17)12-18-15(19)6-7-16(20)21/h2-7H,8-12H2,1H3,(H,18,19)(H,20,21)/b7-6+