2-[3-(dimethylamino)propyl]-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylic acid

Systemtic Name: 2-[3-(dimethylamino)propyl]-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylic acid Openeye Name: 2-[3-(dimethylamino)propyl]-1-oxo-4-phenyl-isoquinoline-3-carboxylic acid CAS Name: 2-[3-(dimethylamino)propyl]-1-oxo-4-phenyl-3-isoquinolinecarboxylic acid IUPAC Name: 2-[3-(dimethylamino)propyl]-1-oxo-4-phenylisoquinoline-3-carboxylic acid Traditional Name: 2-[3-(dimethylamino)propyl]-1-keto-4-phenyl-isoquinoline-3-carboxylic acid Formula: C21H22N2O3 MolecularWeight: 350.41098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O3/c1-22(2)13-8-14-23-19(21(25)26)18(15-9-4-3-5-10-15)16-11-6-7-12-17(16)20(23)24/h3-7,9-12H,8,13-14H2,1-2H3,(H,25,26)