2-[1-oxidanylidene-7-[1-(triphenylmethyl)imidazol-4-yl]-3,4-dihydroisoquinolin-2-yl]ethanoic acid

Systemtic Name: 2-[1-oxidanylidene-7-[1-(triphenylmethyl)imidazol-4-yl]-3,4-dihydroisoquinolin-2-yl]ethanoic acid Openeye Name: 2-[1-oxo-7-(1-tritylimidazol-4-yl)-3,4-dihydroisoquinolin-2-yl]acetic acid CAS Name: 2-[1-oxo-7-[1-(triphenylmethyl)-4-imidazolyl]-3,4-dihydroisoquinolin-2-yl]acetic acid IUPAC Name: 2-[1-oxo-7-(1-tritylimidazol-4-yl)-3,4-dihydroisoquinolin-2-yl]acetic acid Traditional Name: 2-[1-keto-7-(1-tritylimidazol-4-yl)-3,4-dihydroisoquinolin-2-yl]acetic acid Formula: C33H27N3O3 MolecularWeight: 513.58578

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)C2=C1C=CC(=C2)C3=CN(C=N3)C(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)CC(=O)O

Isomeric SMILES

C1CN(C(=O)C2=C1C=CC(=C2)C3=CN(C=N3)C(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)CC(=O)O

InChI

InChI=1S/C33H27N3O3/c37-31(38)22-35-19-18-24-16-17-25(20-29(24)32(35)39)30-21-36(23-34-30)33(26-10-4-1-5-11-26,27-12-6-2-7-13-27)28-14-8-3-9-15-28/h1-17,20-21,23H,18-19,22H2,(H,37,38)