1-[(3-butan-2-yloxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinoline-4-carboxylic acid

Systemtic Name: 1-[(3-butan-2-yloxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinoline-4-carboxylic acid Openeye Name: 6,7-dimethoxy-1-[(3-sec-butoxyphenyl)methyl]-3,4-dihydroisoquinoline-4-carboxylic acid CAS Name: 1-[(3-butan-2-yloxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinoline-4-carboxylic acid IUPAC Name: 1-[(3-butan-2-yloxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinoline-4-carboxylic acid Traditional Name: 6,7-dimethoxy-1-(3-sec-butoxybenzyl)-3,4-dihydroisoquinoline-4-carboxylic acid Formula: C23H27NO5 MolecularWeight: 397.46418

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC1=CC=CC(=C1)CC2=NCC(C3=CC(=C(C=C32)OC)OC)C(=O)O

Isomeric SMILES

CCC(C)OC1=CC=CC(=C1)CC2=NCC(C3=CC(=C(C=C32)OC)OC)C(=O)O

InChI

InChI=1S/C23H27NO5/c1-5-14(2)29-16-8-6-7-15(9-16)10-20-18-12-22(28-4)21(27-3)11-17(18)19(13-24-20)23(25)26/h6-9,11-12,14,19H,5,10,13H2,1-4H3,(H,25,26)