2,3-dihydroisoindol-1-one; O1-methyl O4-[1-[(2-phenylphenyl)methyl]piperidin-4-yl] (E)-but-2-enedioate

Systemtic Name: 2,3-dihydroisoindol-1-one; O1-methyl O4-[1-[(2-phenylphenyl)methyl]piperidin-4-yl] (E)-but-2-enedioate Openeye Name: isoindolin-1-one; O1-methyl O4-[1-[(2-phenylphenyl)methyl]-4-piperidyl] (E)-but-2-enedioate CAS Name: (E)-2-butenedioic acid O1-methyl ester O4-[1-[(2-phenylphenyl)methyl]-4-piperidinyl] ester; 2,3-dihydroisoindol-1-one IUPAC Name: 2,3-dihydroisoindol-1-one; 1-O-methyl 4-O-[1-[(2-phenylphenyl)methyl]piperidin-4-yl] (E)-but-2-enedioate Traditional Name: (E)-but-2-enedioic acid O1-methyl ester O4-[1-(2-phenylbenzyl)-4-piperidyl] ester; isoindolin-1-one Formula: C31H32N2O5 MolecularWeight: 512.59618

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CC(=O)OC1CCN(CC1)CC2=CC=CC=C2C3=CC=CC=C3.C1C2=CC=CC=C2C(=O)N1

Isomeric SMILES

COC(=O)/C=C/C(=O)OC1CCN(CC1)CC2=CC=CC=C2C3=CC=CC=C3.C1C2=CC=CC=C2C(=O)N1

InChI

InChI=1S/C23H25NO4.C8H7NO/c1-27-22(25)11-12-23(26)28-20-13-15-24(16-14-20)17-19-9-5-6-10-21(19)18-7-3-2-4-8-18;10-8-7-4-2-1-3-6(7)5-9-8/h2-12,20H,13-17H2,1H3;1-4H,5H2,(H,9,10)/b12-11+;