5-[3-methoxy-4-(3-methylbutoxy)phenyl]-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline

Systemtic Name: 5-[3-methoxy-4-(3-methylbutoxy)phenyl]-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline Openeye Name: 5-(4-isopentyloxy-3-methoxy-phenyl)-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline CAS Name: 5-[3-methoxy-4-(3-methylbutoxy)phenyl]-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline IUPAC Name: 5-[3-methoxy-4-(3-methylbutoxy)phenyl]-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline Traditional Name: 5-(4-isoamoxy-3-methoxy-phenyl)-5,6,7,8-tetrahydro-[1,3]dioxol[4,5-g]isoquinoline Formula: C22H27NO4 MolecularWeight: 369.45408

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=C(C=C(C=C1)C2C3=CC4=C(C=C3CCN2)OCO4)OC

Isomeric SMILES

CC(C)CCOC1=C(C=C(C=C1)C2C3=CC4=C(C=C3CCN2)OCO4)OC

InChI

InChI=1S/C22H27NO4/c1-14(2)7-9-25-18-5-4-16(11-19(18)24-3)22-17-12-21-20(26-13-27-21)10-15(17)6-8-23-22/h4-5,10-12,14,22-23H,6-9,13H2,1-3H3