2-[2-(3-methoxyphenyl)-2-oxidanylidene-ethyl]-3H-isoindol-1-one; O1-methyl O4-piperidin-4-yl (E)-but-2-enedioate

Systemtic Name: 2-[2-(3-methoxyphenyl)-2-oxidanylidene-ethyl]-3H-isoindol-1-one; O1-methyl O4-piperidin-4-yl (E)-but-2-enedioate Openeye Name: 2-[2-(3-methoxyphenyl)-2-oxo-ethyl]isoindolin-1-one; O1-methyl O4-(4-piperidyl) (E)-but-2-enedioate CAS Name: (E)-2-butenedioic acid O1-methyl ester O4-(4-piperidinyl) ester; 2-[2-(3-methoxyphenyl)-2-oxoethyl]-3H-isoindol-1-one IUPAC Name: 2-[2-(3-methoxyphenyl)-2-oxoethyl]-3H-isoindol-1-one; 1-O-methyl 4-O-piperidin-4-yl (E)-but-2-enedioate Traditional Name: (E)-but-2-enedioic acid O1-methyl ester O4-(4-piperidyl) ester; 2-[2-keto-2-(3-methoxyphenyl)ethyl]isoindolin-1-one Formula: C27H30N2O7 MolecularWeight: 494.5363

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)CN2CC3=CC=CC=C3C2=O.COC(=O)C=CC(=O)OC1CCNCC1

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)CN2CC3=CC=CC=C3C2=O.COC(=O)/C=C/C(=O)OC1CCNCC1

InChI

InChI=1S/C17H15NO3.C10H15NO4/c1-21-14-7-4-6-12(9-14)16(19)11-18-10-13-5-2-3-8-15(13)17(18)20;1-14-9(12)2-3-10(13)15-8-4-6-11-7-5-8/h2-9H,10-11H2,1H3;2-3,8,11H,4-7H2,1H3/b;3-2+