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

Systemtic Name: 2-(3-morpholin-4-ylphenyl)carbonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: 2-(3-morpholinobenzoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: 2-[[3-(4-morpholinyl)phenyl]-oxomethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: 2-(3-morpholin-4-ylbenzoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: 2-(3-morpholinobenzoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC=CC(=C2)C(=O)N3CC4=CC=CC=C4CC3C(=O)O

Isomeric SMILES

C1COCCN1C2=CC=CC(=C2)C(=O)N3CC4=CC=CC=C4CC3C(=O)O

InChI

InChI=1S/C21H22N2O4/c24-20(16-6-3-7-18(12-16)22-8-10-27-11-9-22)23-14-17-5-2-1-4-15(17)13-19(23)21(25)26/h1-7,12,19H,8-11,13-14H2,(H,25,26)