2-ethanoyl-6,7-dimethoxy-1-(phenylmethyl)-3,4-dihydroisoquinoline-1-carboxylic acid

Systemtic Name: 2-ethanoyl-6,7-dimethoxy-1-(phenylmethyl)-3,4-dihydroisoquinoline-1-carboxylic acid Openeye Name: 2-acetyl-1-benzyl-6,7-dimethoxy-3,4-dihydroisoquinoline-1-carboxylic acid CAS Name: 2-acetyl-6,7-dimethoxy-1-(phenylmethyl)-3,4-dihydroisoquinoline-1-carboxylic acid IUPAC Name: 2-acetyl-1-benzyl-6,7-dimethoxy-3,4-dihydroisoquinoline-1-carboxylic acid Traditional Name: 2-acetyl-1-benzyl-6,7-dimethoxy-3,4-dihydroisoquinoline-1-carboxylic acid Formula: C21H23NO5 MolecularWeight: 369.41102

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC2=CC(=C(C=C2C1(CC3=CC=CC=C3)C(=O)O)OC)OC

Isomeric SMILES

CC(=O)N1CCC2=CC(=C(C=C2C1(CC3=CC=CC=C3)C(=O)O)OC)OC

InChI

InChI=1S/C21H23NO5/c1-14(23)22-10-9-16-11-18(26-2)19(27-3)12-17(16)21(22,20(24)25)13-15-7-5-4-6-8-15/h4-8,11-12H,9-10,13H2,1-3H3,(H,24,25)