1-oxidanylidene-2-propyl-3-(3,4,5-trimethoxyphenyl)-3,4-dihydroisoquinoline-4-carboxylic acid

Systemtic Name: 1-oxidanylidene-2-propyl-3-(3,4,5-trimethoxyphenyl)-3,4-dihydroisoquinoline-4-carboxylic acid Openeye Name: 1-oxo-2-propyl-3-(3,4,5-trimethoxyphenyl)-3,4-dihydroisoquinoline-4-carboxylic acid CAS Name: 1-oxo-2-propyl-3-(3,4,5-trimethoxyphenyl)-3,4-dihydroisoquinoline-4-carboxylic acid IUPAC Name: 1-oxo-2-propyl-3-(3,4,5-trimethoxyphenyl)-3,4-dihydroisoquinoline-4-carboxylic acid Traditional Name: 1-keto-2-propyl-3-(3,4,5-trimethoxyphenyl)-3,4-dihydroisoquinoline-4-carboxylic acid Formula: C22H25NO6 MolecularWeight: 399.437

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(C(C2=CC=CC=C2C1=O)C(=O)O)C3=CC(=C(C(=C3)OC)OC)OC

Isomeric SMILES

CCCN1C(C(C2=CC=CC=C2C1=O)C(=O)O)C3=CC(=C(C(=C3)OC)OC)OC

InChI

InChI=1S/C22H25NO6/c1-5-10-23-19(13-11-16(27-2)20(29-4)17(12-13)28-3)18(22(25)26)14-8-6-7-9-15(14)21(23)24/h6-9,11-12,18-19H,5,10H2,1-4H3,(H,25,26)