[2-oxidanylidene-2-[(4-phenyldiazenylphenyl)amino]ethyl] 3-(4-tert-butylphenoxy)propanoate

Systemtic Name: [2-oxidanylidene-2-[(4-phenyldiazenylphenyl)amino]ethyl] 3-(4-tert-butylphenoxy)propanoate Openeye Name: [2-oxo-2-(4-phenylazoanilino)ethyl] 3-(4-tert-butylphenoxy)propanoate CAS Name: 3-(4-tert-butylphenoxy)propanoic acid [2-oxo-2-(4-phenyldiazenylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(4-phenyldiazenylanilino)ethyl] 3-(4-tert-butylphenoxy)propanoate Traditional Name: 3-(4-tert-butylphenoxy)propionic acid [2-keto-2-(4-phenylazoanilino)ethyl] ester Formula: C27H29N3O4 MolecularWeight: 459.53686

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCCC(=O)OCC(=O)NC2=CC=C(C=C2)N=NC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCCC(=O)OCC(=O)NC2=CC=C(C=C2)N=NC3=CC=CC=C3

InChI

InChI=1S/C27H29N3O4/c1-27(2,3)20-9-15-24(16-10-20)33-18-17-26(32)34-19-25(31)28-21-11-13-23(14-12-21)30-29-22-7-5-4-6-8-22/h4-16H,17-19H2,1-3H3,(H,28,31)