3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-phenyl-quinoline-4-carboxylic acid

Systemtic Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-phenyl-quinoline-4-carboxylic acid Openeye Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-phenyl-quinoline-4-carboxylic acid CAS Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-phenyl-4-quinolinecarboxylic acid IUPAC Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-phenylquinoline-4-carboxylic acid Traditional Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-phenyl-cinchoninic acid Formula: C26H22N2O2 MolecularWeight: 394.46508

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)CC3=C(C4=CC=CC=C4N=C3C5=CC=CC=C5)C(=O)O

Isomeric SMILES

C1CN(CC2=CC=CC=C21)CC3=C(C4=CC=CC=C4N=C3C5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C26H22N2O2/c29-26(30)24-21-12-6-7-13-23(21)27-25(19-9-2-1-3-10-19)22(24)17-28-15-14-18-8-4-5-11-20(18)16-28/h1-13H,14-17H2,(H,29,30)