6-chloranyl-2-(2-diethylaminoethyl)-1-(2-methylphenyl)-1H-isoquinoline-4-carboxylic acid

Systemtic Name: 6-chloranyl-2-(2-diethylaminoethyl)-1-(2-methylphenyl)-1H-isoquinoline-4-carboxylic acid Openeye Name: 6-chloro-2-(2-diethylaminoethyl)-1-(o-tolyl)-1H-isoquinoline-4-carboxylic acid CAS Name: 6-chloro-2-(2-diethylaminoethyl)-1-(2-methylphenyl)-1H-isoquinoline-4-carboxylic acid IUPAC Name: 6-chloro-2-(2-diethylaminoethyl)-1-(2-methylphenyl)-1H-isoquinoline-4-carboxylic acid Traditional Name: 6-chloro-2-(2-diethylaminoethyl)-1-(o-tolyl)-1H-isoquinoline-4-carboxylic acid Formula: C23H27ClN2O2 MolecularWeight: 398.92568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN1C=C(C2=C(C1C3=CC=CC=C3C)C=CC(=C2)Cl)C(=O)O

Isomeric SMILES

CCN(CC)CCN1C=C(C2=C(C1C3=CC=CC=C3C)C=CC(=C2)Cl)C(=O)O

InChI

InChI=1S/C23H27ClN2O2/c1-4-25(5-2)12-13-26-15-21(23(27)28)20-14-17(24)10-11-19(20)22(26)18-9-7-6-8-16(18)3/h6-11,14-15,22H,4-5,12-13H2,1-3H3,(H,27,28)