2-(3,4-diethoxyphenyl)carbonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Systemtic Name: 2-(3,4-diethoxyphenyl)carbonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: 2-(3,4-diethoxybenzoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: 2-[(3,4-diethoxyphenyl)-oxomethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: 2-(3,4-diethoxybenzoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: 2-(3,4-diethoxybenzoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C21H23NO5 MolecularWeight: 369.41102

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)N2CC3=CC=CC=C3CC2C(=O)O)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)N2CC3=CC=CC=C3CC2C(=O)O)OCC

InChI

InChI=1S/C21H23NO5/c1-3-26-18-10-9-15(12-19(18)27-4-2)20(23)22-13-16-8-6-5-7-14(16)11-17(22)21(24)25/h5-10,12,17H,3-4,11,13H2,1-2H3,(H,24,25)