tert-butyl 4,8-bis(azanyl)-7-methyl-5-oxidanylidene-2-[1-(triphenylmethyl)imidazol-4-yl]octanoate

Systemtic Name: tert-butyl 4,8-bis(azanyl)-7-methyl-5-oxidanylidene-2-[1-(triphenylmethyl)imidazol-4-yl]octanoate Openeye Name: tert-butyl 4,8-diamino-7-methyl-5-oxo-2-(1-tritylimidazol-4-yl)octanoate CAS Name: 4,8-diamino-7-methyl-5-oxo-2-[1-(triphenylmethyl)-4-imidazolyl]octanoic acid tert-butyl ester IUPAC Name: tert-butyl 4,8-diamino-7-methyl-5-oxo-2-(1-tritylimidazol-4-yl)octanoate Traditional Name: 4,8-diamino-5-keto-7-methyl-2-(1-tritylimidazol-4-yl)caprylic acid tert-butyl ester Formula: C35H42N4O3 MolecularWeight: 566.73298

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)C(CC(C1=CN(C=N1)C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)OC(C)(C)C)N)CN

Isomeric SMILES

CC(CC(=O)C(CC(C1=CN(C=N1)C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)OC(C)(C)C)N)CN

InChI

InChI=1S/C35H42N4O3/c1-25(22-36)20-32(40)30(37)21-29(33(41)42-34(2,3)4)31-23-39(24-38-31)35(26-14-8-5-9-15-26,27-16-10-6-11-17-27)28-18-12-7-13-19-28/h5-19,23-25,29-30H,20-22,36-37H2,1-4H3