methyl (3S)-2-oxidanylidene-4-phenyl-3-[(4-phenyldiazenylphenyl)methoxycarbonylamino]butanoate

Systemtic Name: methyl (3S)-2-oxidanylidene-4-phenyl-3-[(4-phenyldiazenylphenyl)methoxycarbonylamino]butanoate Openeye Name: methyl (3S)-2-oxo-4-phenyl-3-[(4-phenylazophenyl)methoxycarbonylamino]butanoate CAS Name: (3S)-2-oxo-3-[[oxo-[(4-phenyldiazenylphenyl)methoxy]methyl]amino]-4-phenylbutanoic acid methyl ester IUPAC Name: methyl (3S)-2-oxo-4-phenyl-3-[(4-phenyldiazenylphenyl)methoxycarbonylamino]butanoate Traditional Name: (3S)-2-keto-4-phenyl-3-[(4-phenylazobenzyl)oxycarbonylamino]butyric acid methyl ester Formula: C25H23N3O5 MolecularWeight: 445.46722

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=O)C(CC1=CC=CC=C1)NC(=O)OCC2=CC=C(C=C2)N=NC3=CC=CC=C3

Isomeric SMILES

COC(=O)C(=O)[C@H](CC1=CC=CC=C1)NC(=O)OCC2=CC=C(C=C2)N=NC3=CC=CC=C3

InChI

InChI=1S/C25H23N3O5/c1-32-24(30)23(29)22(16-18-8-4-2-5-9-18)26-25(31)33-17-19-12-14-21(15-13-19)28-27-20-10-6-3-7-11-20/h2-15,22H,16-17H2,1H3,(H,26,31)/t22-/m0/s1