1-[3-[(5,6-dimethoxy-2,3-dihydro-1H-isoindol-1-yl)methyl]azepan-1-yl]-3-(6-methoxynaphthalen-1-yl)propan-2-ol

Systemtic Name: 1-[3-[(5,6-dimethoxy-2,3-dihydro-1H-isoindol-1-yl)methyl]azepan-1-yl]-3-(6-methoxynaphthalen-1-yl)propan-2-ol Openeye Name: 1-[3-[(5,6-dimethoxyisoindolin-1-yl)methyl]azepan-1-yl]-3-(6-methoxy-1-naphthyl)propan-2-ol CAS Name: 1-[3-[(5,6-dimethoxy-2,3-dihydro-1H-isoindol-1-yl)methyl]-1-azepanyl]-3-(6-methoxy-1-naphthalenyl)-2-propanol IUPAC Name: 1-[3-[(5,6-dimethoxy-2,3-dihydro-1H-isoindol-1-yl)methyl]azepan-1-yl]-3-(6-methoxynaphthalen-1-yl)propan-2-ol Traditional Name: 1-[3-[(5,6-dimethoxyisoindolin-1-yl)methyl]azepan-1-yl]-3-(6-methoxy-1-naphthyl)propan-2-ol Formula: C31H40N2O4 MolecularWeight: 504.6603

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC=C2)CC(CN3CCCCC(C3)CC4C5=CC(=C(C=C5CN4)OC)OC)O

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC=C2)CC(CN3CCCCC(C3)CC4C5=CC(=C(C=C5CN4)OC)OC)O

InChI

InChI=1S/C31H40N2O4/c1-35-26-10-11-27-22(8-6-9-23(27)15-26)14-25(34)20-33-12-5-4-7-21(19-33)13-29-28-17-31(37-3)30(36-2)16-24(28)18-32-29/h6,8-11,15-17,21,25,29,32,34H,4-5,7,12-14,18-20H2,1-3H3