1-ethanoyl-6-methoxy-5-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid

Systemtic Name: 1-ethanoyl-6-methoxy-5-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid Openeye Name: 1-acetyl-5-benzyloxy-6-methoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid CAS Name: 1-acetyl-6-methoxy-5-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid IUPAC Name: 1-acetyl-6-methoxy-5-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid Traditional Name: 1-acetyl-5-benzoxy-6-methoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid Formula: C20H21NO5 MolecularWeight: 355.38444

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1C2=C(CC(N1)C(=O)O)C(=C(C=C2)OC)OCC3=CC=CC=C3

Isomeric SMILES

CC(=O)C1C2=C(CC(N1)C(=O)O)C(=C(C=C2)OC)OCC3=CC=CC=C3

InChI

InChI=1S/C20H21NO5/c1-12(22)18-14-8-9-17(25-2)19(15(14)10-16(21-18)20(23)24)26-11-13-6-4-3-5-7-13/h3-9,16,18,21H,10-11H2,1-2H3,(H,23,24)