2-[[(2R)-4,4-diethoxy-1-[(1S)-1-phenylethyl]piperidin-2-yl]methyl]-7-methoxy-3H-isoindol-1-one

Systemtic Name: 2-[[(2R)-4,4-diethoxy-1-[(1S)-1-phenylethyl]piperidin-2-yl]methyl]-7-methoxy-3H-isoindol-1-one Openeye Name: 2-[[(2R)-4,4-diethoxy-1-[(1S)-1-phenylethyl]-2-piperidyl]methyl]-7-methoxy-isoindolin-1-one CAS Name: 2-[[(2R)-4,4-diethoxy-1-[(1S)-1-phenylethyl]-2-piperidinyl]methyl]-7-methoxy-3H-isoindol-1-one IUPAC Name: 2-[[(2R)-4,4-diethoxy-1-[(1S)-1-phenylethyl]piperidin-2-yl]methyl]-7-methoxy-3H-isoindol-1-one Traditional Name: 2-[[(2R)-4,4-diethoxy-1-[(1S)-1-phenylethyl]-2-piperidyl]methyl]-7-methoxy-isoindolin-1-one Formula: C27H36N2O4 MolecularWeight: 452.58574

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1(CCN(C(C1)CN2CC3=C(C2=O)C(=CC=C3)OC)C(C)C4=CC=CC=C4)OCC

Isomeric SMILES

CCOC1(CCN([C@H](C1)CN2CC3=C(C2=O)C(=CC=C3)OC)[C@@H](C)C4=CC=CC=C4)OCC

InChI

InChI=1S/C27H36N2O4/c1-5-32-27(33-6-2)15-16-29(20(3)21-11-8-7-9-12-21)23(17-27)19-28-18-22-13-10-14-24(31-4)25(22)26(28)30/h7-14,20,23H,5-6,15-19H2,1-4H3/t20-,23+/m0/s1