[5-azanyl-4-(naphthalen-1-yldiazenyl)benzotriazol-2-yl]methyl (3S)-3-phenylbutanoate

Systemtic Name: [5-azanyl-4-(naphthalen-1-yldiazenyl)benzotriazol-2-yl]methyl (3S)-3-phenylbutanoate Openeye Name: [5-amino-4-(1-naphthylazo)benzotriazol-2-yl]methyl (3S)-3-phenylbutanoate CAS Name: (3S)-3-phenylbutanoic acid [5-amino-4-(1-naphthalenylazo)-2-benzotriazolyl]methyl ester IUPAC Name: [5-amino-4-(naphthalen-1-yldiazenyl)benzotriazol-2-yl]methyl (3S)-3-phenylbutanoate Traditional Name: (3S)-3-phenylbutyric acid [5-amino-4-(1-naphthylazo)benzotriazol-2-yl]methyl ester Formula: C27H24N6O2 MolecularWeight: 464.51846

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)OCN1N=C2C=CC(=C(C2=N1)N=NC3=CC=CC4=CC=CC=C43)N)C5=CC=CC=C5

Isomeric SMILES

C[C@@H](CC(=O)OCN1N=C2C=CC(=C(C2=N1)N=NC3=CC=CC4=CC=CC=C43)N)C5=CC=CC=C5

InChI

InChI=1S/C27H24N6O2/c1-18(19-8-3-2-4-9-19)16-25(34)35-17-33-31-24-15-14-22(28)26(27(24)32-33)30-29-23-13-7-11-20-10-5-6-12-21(20)23/h2-15,18H,16-17,28H2,1H3/t18-/m0/s1