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

Systemtic Name: O1-methyl O4-piperidin-4-yl (E)-but-2-enedioate; 2-[3-(2-phenethylphenoxy)propyl]-3H-isoindol-1-one Openeye Name: O1-methyl O4-(4-piperidyl) (E)-but-2-enedioate; 2-[3-(2-phenethylphenoxy)propyl]isoindolin-1-one CAS Name: (E)-2-butenedioic acid O1-methyl ester O4-(4-piperidinyl) ester; 2-[3-(2-phenethylphenoxy)propyl]-3H-isoindol-1-one IUPAC Name: 1-O-methyl 4-O-piperidin-4-yl (E)-but-2-enedioate; 2-[3-(2-phenethylphenoxy)propyl]-3H-isoindol-1-one Traditional Name: (E)-but-2-enedioic acid O1-methyl ester O4-(4-piperidyl) ester; 2-[3-(2-phenethylphenoxy)propyl]isoindolin-1-one Formula: C35H40N2O6 MolecularWeight: 584.7019

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CC(=O)OC1CCNCC1.C1C2=CC=CC=C2C(=O)N1CCCOC3=CC=CC=C3CCC4=CC=CC=C4

Isomeric SMILES

COC(=O)/C=C/C(=O)OC1CCNCC1.C1C2=CC=CC=C2C(=O)N1CCCOC3=CC=CC=C3CCC4=CC=CC=C4

InChI

InChI=1S/C25H25NO2.C10H15NO4/c27-25-23-13-6-4-12-22(23)19-26(25)17-8-18-28-24-14-7-5-11-21(24)16-15-20-9-2-1-3-10-20;1-14-9(12)2-3-10(13)15-8-4-6-11-7-5-8/h1-7,9-14H,8,15-19H2;2-3,8,11H,4-7H2,1H3/b;3-2+