[2-oxidanylidene-2-[(4-phenyldiazenylphenyl)amino]ethyl] 3-acetamidoadamantane-1-carboxylate

Systemtic Name: [2-oxidanylidene-2-[(4-phenyldiazenylphenyl)amino]ethyl] 3-acetamidoadamantane-1-carboxylate Openeye Name: [2-oxo-2-(4-phenylazoanilino)ethyl] 3-acetamidoadamantane-1-carboxylate CAS Name: 3-acetamido-1-adamantanecarboxylic acid [2-oxo-2-(4-phenyldiazenylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(4-phenyldiazenylanilino)ethyl] 3-acetamidoadamantane-1-carboxylate Traditional Name: 3-acetamidoadamantane-1-carboxylic acid [2-keto-2-(4-phenylazoanilino)ethyl] ester Formula: C27H30N4O4 MolecularWeight: 474.5515

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC12CC3CC(C1)CC(C3)(C2)C(=O)OCC(=O)NC4=CC=C(C=C4)N=NC5=CC=CC=C5

Isomeric SMILES

CC(=O)NC12CC3CC(C1)CC(C3)(C2)C(=O)OCC(=O)NC4=CC=C(C=C4)N=NC5=CC=CC=C5

InChI

InChI=1S/C27H30N4O4/c1-18(32)29-27-14-19-11-20(15-27)13-26(12-19,17-27)25(34)35-16-24(33)28-21-7-9-23(10-8-21)31-30-22-5-3-2-4-6-22/h2-10,19-20H,11-17H2,1H3,(H,28,33)(H,29,32)