3-chloranyl-2-(2-diethylaminoethyl)-1-phenyl-1H-isoquinoline-4-carboxylic acid

Systemtic Name: 3-chloranyl-2-(2-diethylaminoethyl)-1-phenyl-1H-isoquinoline-4-carboxylic acid Openeye Name: 3-chloro-2-(2-diethylaminoethyl)-1-phenyl-1H-isoquinoline-4-carboxylic acid CAS Name: 3-chloro-2-(2-diethylaminoethyl)-1-phenyl-1H-isoquinoline-4-carboxylic acid IUPAC Name: 3-chloro-2-(2-diethylaminoethyl)-1-phenyl-1H-isoquinoline-4-carboxylic acid Traditional Name: 3-chloro-2-(2-diethylaminoethyl)-1-phenyl-1H-isoquinoline-4-carboxylic acid Formula: C22H25ClN2O2 MolecularWeight: 384.8991

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN1C(C2=CC=CC=C2C(=C1Cl)C(=O)O)C3=CC=CC=C3

Isomeric SMILES

CCN(CC)CCN1C(C2=CC=CC=C2C(=C1Cl)C(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C22H25ClN2O2/c1-3-24(4-2)14-15-25-20(16-10-6-5-7-11-16)18-13-9-8-12-17(18)19(21(25)23)22(26)27/h5-13,20H,3-4,14-15H2,1-2H3,(H,26,27)