(E)-4-methoxy-4-oxidanylidene-but-2-enoic acid; 5-methoxy-2-(1-phenacylpiperidin-4-yl)-3H-isoindol-1-one

Systemtic Name: (E)-4-methoxy-4-oxidanylidene-but-2-enoic acid; 5-methoxy-2-(1-phenacylpiperidin-4-yl)-3H-isoindol-1-one Openeye Name: (E)-4-methoxy-4-oxo-but-2-enoic acid; 5-methoxy-2-(1-phenacyl-4-piperidyl)isoindolin-1-one CAS Name: (E)-4-methoxy-4-oxo-2-butenoic acid; 5-methoxy-2-(1-phenacyl-4-piperidinyl)-3H-isoindol-1-one IUPAC Name: (E)-4-methoxy-4-oxobut-2-enoic acid; 5-methoxy-2-(1-phenacylpiperidin-4-yl)-3H-isoindol-1-one Traditional Name: (E)-4-keto-4-methoxy-but-2-enoic acid; 5-methoxy-2-(1-phenacyl-4-piperidyl)isoindolin-1-one Formula: C27H30N2O7 MolecularWeight: 494.5363

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=O)N(C2)C3CCN(CC3)CC(=O)C4=CC=CC=C4.COC(=O)C=CC(=O)O

Isomeric SMILES

COC1=CC2=C(C=C1)C(=O)N(C2)C3CCN(CC3)CC(=O)C4=CC=CC=C4.COC(=O)/C=C/C(=O)O

InChI

InChI=1S/C22H24N2O3.C5H6O4/c1-27-19-7-8-20-17(13-19)14-24(22(20)26)18-9-11-23(12-10-18)15-21(25)16-5-3-2-4-6-16;1-9-5(8)3-2-4(6)7/h2-8,13,18H,9-12,14-15H2,1H3;2-3H,1H3,(H,6,7)/b;3-2+