2-[2-(ethylamino)ethyl]-1-phenyl-1H-isoquinoline-4-carboxylic acid

Systemtic Name: 2-[2-(ethylamino)ethyl]-1-phenyl-1H-isoquinoline-4-carboxylic acid Openeye Name: 2-[2-(ethylamino)ethyl]-1-phenyl-1H-isoquinoline-4-carboxylic acid CAS Name: 2-[2-(ethylamino)ethyl]-1-phenyl-1H-isoquinoline-4-carboxylic acid IUPAC Name: 2-[2-(ethylamino)ethyl]-1-phenyl-1H-isoquinoline-4-carboxylic acid Traditional Name: 2-[2-(ethylamino)ethyl]-1-phenyl-1H-isoquinoline-4-carboxylic acid Formula: C20H22N2O2 MolecularWeight: 322.40088

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNCCN1C=C(C2=CC=CC=C2C1C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCNCCN1C=C(C2=CC=CC=C2C1C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C20H22N2O2/c1-2-21-12-13-22-14-18(20(23)24)16-10-6-7-11-17(16)19(22)15-8-4-3-5-9-15/h3-11,14,19,21H,2,12-13H2,1H3,(H,23,24)