2-(2-diethylaminoethyl)-1-(2,3-dimethylphenyl)-1H-isoquinoline-4-carboxylic acid

Systemtic Name: 2-(2-diethylaminoethyl)-1-(2,3-dimethylphenyl)-1H-isoquinoline-4-carboxylic acid Openeye Name: 2-(2-diethylaminoethyl)-1-(2,3-dimethylphenyl)-1H-isoquinoline-4-carboxylic acid CAS Name: 2-(2-diethylaminoethyl)-1-(2,3-dimethylphenyl)-1H-isoquinoline-4-carboxylic acid IUPAC Name: 2-(2-diethylaminoethyl)-1-(2,3-dimethylphenyl)-1H-isoquinoline-4-carboxylic acid Traditional Name: 2-(2-diethylaminoethyl)-1-(2,3-dimethylphenyl)-1H-isoquinoline-4-carboxylic acid Formula: C24H30N2O2 MolecularWeight: 378.5072

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN1C=C(C2=CC=CC=C2C1C3=C(C(=CC=C3)C)C)C(=O)O

Isomeric SMILES

CCN(CC)CCN1C=C(C2=CC=CC=C2C1C3=C(C(=CC=C3)C)C)C(=O)O

InChI

InChI=1S/C24H30N2O2/c1-5-25(6-2)14-15-26-16-22(24(27)28)20-11-7-8-12-21(20)23(26)19-13-9-10-17(3)18(19)4/h7-13,16,23H,5-6,14-15H2,1-4H3,(H,27,28)