2,2-dimethyl-1-[6-phenylmethoxy-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-3,4-dihydro-1H-isoquinolin-2-yl]propan-1-one

Systemtic Name: 2,2-dimethyl-1-[6-phenylmethoxy-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-3,4-dihydro-1H-isoquinolin-2-yl]propan-1-one Openeye Name: 1-[6-benzyloxy-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-3,4-dihydro-1H-isoquinolin-2-yl]-2,2-dimethyl-propan-1-one CAS Name: 2,2-dimethyl-1-[6-phenylmethoxy-1-[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]-3,4-dihydro-1H-isoquinolin-2-yl]-1-propanone IUPAC Name: 2,2-dimethyl-1-[6-phenylmethoxy-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-3,4-dihydro-1H-isoquinolin-2-yl]propan-1-one Traditional Name: 1-[6-benzoxy-1-[4-(2-pyrrolidinoethoxy)phenyl]-3,4-dihydro-1H-isoquinolin-2-yl]-2,2-dimethyl-propan-1-one Formula: C33H40N2O3 MolecularWeight: 512.6823

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)N1CCC2=C(C1C3=CC=C(C=C3)OCCN4CCCC4)C=CC(=C2)OCC5=CC=CC=C5

Isomeric SMILES

CC(C)(C)C(=O)N1CCC2=C(C1C3=CC=C(C=C3)OCCN4CCCC4)C=CC(=C2)OCC5=CC=CC=C5

InChI

InChI=1S/C33H40N2O3/c1-33(2,3)32(36)35-20-17-27-23-29(38-24-25-9-5-4-6-10-25)15-16-30(27)31(35)26-11-13-28(14-12-26)37-22-21-34-18-7-8-19-34/h4-6,9-16,23,31H,7-8,17-22,24H2,1-3H3