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

Systemtic Name: 2-(2-diethylaminoethyl)-6,7-dimethyl-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylic acid Openeye Name: 2-(2-diethylaminoethyl)-6,7-dimethyl-1-oxo-4-phenyl-isoquinoline-3-carboxylic acid CAS Name: 2-(2-diethylaminoethyl)-6,7-dimethyl-1-oxo-4-phenyl-3-isoquinolinecarboxylic acid IUPAC Name: 2-(2-diethylaminoethyl)-6,7-dimethyl-1-oxo-4-phenylisoquinoline-3-carboxylic acid Traditional Name: 2-(2-diethylaminoethyl)-1-keto-6,7-dimethyl-4-phenyl-isoquinoline-3-carboxylic acid Formula: C24H28N2O3 MolecularWeight: 392.49072

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN1C(=C(C2=CC(=C(C=C2C1=O)C)C)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCN(CC)CCN1C(=C(C2=CC(=C(C=C2C1=O)C)C)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C24H28N2O3/c1-5-25(6-2)12-13-26-22(24(28)29)21(18-10-8-7-9-11-18)19-14-16(3)17(4)15-20(19)23(26)27/h7-11,14-15H,5-6,12-13H2,1-4H3,(H,28,29)