[2-oxidanylidene-2-[(4-phenyldiazenylphenyl)amino]ethyl] 2-(1-adamantylcarbonylamino)ethanoate

Systemtic Name: [2-oxidanylidene-2-[(4-phenyldiazenylphenyl)amino]ethyl] 2-(1-adamantylcarbonylamino)ethanoate Openeye Name: [2-oxo-2-(4-phenylazoanilino)ethyl] 2-(adamantane-1-carbonylamino)acetate CAS Name: 2-[[1-adamantyl(oxo)methyl]amino]acetic acid [2-oxo-2-(4-phenyldiazenylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(4-phenyldiazenylanilino)ethyl] 2-(adamantane-1-carbonylamino)acetate Traditional Name: 2-(adamantane-1-carbonylamino)acetic acid [2-keto-2-(4-phenylazoanilino)ethyl] ester Formula: C27H30N4O4 MolecularWeight: 474.5515

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NCC(=O)OCC(=O)NC4=CC=C(C=C4)N=NC5=CC=CC=C5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NCC(=O)OCC(=O)NC4=CC=C(C=C4)N=NC5=CC=CC=C5

InChI

InChI=1S/C27H30N4O4/c32-24(29-21-6-8-23(9-7-21)31-30-22-4-2-1-3-5-22)17-35-25(33)16-28-26(34)27-13-18-10-19(14-27)12-20(11-18)15-27/h1-9,18-20H,10-17H2,(H,28,34)(H,29,32)