7-chloranyl-2-[(4-cyanophenyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Systemtic Name: 7-chloranyl-2-[(4-cyanophenyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: 7-chloro-2-[(4-cyanophenyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: 7-chloro-2-[(4-cyanophenyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: 7-chloro-2-[(4-cyanophenyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: 7-chloro-2-(4-cyanobenzyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C18H15ClN2O2 MolecularWeight: 326.7769

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=C1C=CC(=C2)Cl)CC3=CC=C(C=C3)C#N)C(=O)O

Isomeric SMILES

C1C(N(CC2=C1C=CC(=C2)Cl)CC3=CC=C(C=C3)C#N)C(=O)O

InChI

InChI=1S/C18H15ClN2O2/c19-16-6-5-14-8-17(18(22)23)21(11-15(14)7-16)10-13-3-1-12(9-20)2-4-13/h1-7,17H,8,10-11H2,(H,22,23)