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

Systemtic Name: ethyl 2-[1-oxidanylidene-7-[1-(triphenylmethyl)imidazol-4-yl]-3,4-dihydroisoquinolin-2-yl]ethanoate Openeye Name: ethyl 2-[1-oxo-7-(1-tritylimidazol-4-yl)-3,4-dihydroisoquinolin-2-yl]acetate CAS Name: 2-[1-oxo-7-[1-(triphenylmethyl)-4-imidazolyl]-3,4-dihydroisoquinolin-2-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[1-oxo-7-(1-tritylimidazol-4-yl)-3,4-dihydroisoquinolin-2-yl]acetate Traditional Name: 2-[1-keto-7-(1-tritylimidazol-4-yl)-3,4-dihydroisoquinolin-2-yl]acetic acid ethyl ester Formula: C35H31N3O3 MolecularWeight: 541.63894

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1CCC2=C(C1=O)C=C(C=C2)C3=CN(C=N3)C(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

CCOC(=O)CN1CCC2=C(C1=O)C=C(C=C2)C3=CN(C=N3)C(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C35H31N3O3/c1-2-41-33(39)24-37-21-20-26-18-19-27(22-31(26)34(37)40)32-23-38(25-36-32)35(28-12-6-3-7-13-28,29-14-8-4-9-15-29)30-16-10-5-11-17-30/h3-19,22-23,25H,2,20-21,24H2,1H3