2-(2-dimethylaminoethyl)-6,7-dimethyl-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylic acid

Systemtic Name: 2-(2-dimethylaminoethyl)-6,7-dimethyl-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylic acid Openeye Name: 2-(2-dimethylaminoethyl)-6,7-dimethyl-1-oxo-4-phenyl-isoquinoline-3-carboxylic acid CAS Name: 2-(2-dimethylaminoethyl)-6,7-dimethyl-1-oxo-4-phenyl-3-isoquinolinecarboxylic acid IUPAC Name: 2-(2-dimethylaminoethyl)-6,7-dimethyl-1-oxo-4-phenylisoquinoline-3-carboxylic acid Traditional Name: 2-(2-dimethylaminoethyl)-1-keto-6,7-dimethyl-4-phenyl-isoquinoline-3-carboxylic acid Formula: C22H24N2O3 MolecularWeight: 364.43756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=C(N(C2=O)CCN(C)C)C(=O)O)C3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=C(N(C2=O)CCN(C)C)C(=O)O)C3=CC=CC=C3)C

InChI

InChI=1S/C22H24N2O3/c1-14-12-17-18(13-15(14)2)21(25)24(11-10-23(3)4)20(22(26)27)19(17)16-8-6-5-7-9-16/h5-9,12-13H,10-11H2,1-4H3,(H,26,27)