1-[(3-butan-2-yloxyphenyl)methyl]-4-(chloromethyl)-6,7-dimethoxy-isoquinoline

Systemtic Name: 1-[(3-butan-2-yloxyphenyl)methyl]-4-(chloromethyl)-6,7-dimethoxy-isoquinoline Openeye Name: 4-(chloromethyl)-6,7-dimethoxy-1-[(3-sec-butoxyphenyl)methyl]isoquinoline CAS Name: 1-[(3-butan-2-yloxyphenyl)methyl]-4-(chloromethyl)-6,7-dimethoxyisoquinoline IUPAC Name: 1-[(3-butan-2-yloxyphenyl)methyl]-4-(chloromethyl)-6,7-dimethoxyisoquinoline Traditional Name: 4-(chloromethyl)-6,7-dimethoxy-1-(3-sec-butoxybenzyl)isoquinoline Formula: C23H26ClNO3 MolecularWeight: 399.91044

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC1=CC=CC(=C1)CC2=NC=C(C3=CC(=C(C=C32)OC)OC)CCl

Isomeric SMILES

CCC(C)OC1=CC=CC(=C1)CC2=NC=C(C3=CC(=C(C=C32)OC)OC)CCl

InChI

InChI=1S/C23H26ClNO3/c1-5-15(2)28-18-8-6-7-16(9-18)10-21-20-12-23(27-4)22(26-3)11-19(20)17(13-24)14-25-21/h6-9,11-12,14-15H,5,10,13H2,1-4H3