ethyl (2S)-2-[[3-[(4-dimethylaminophenyl)diazenyl]phenyl]carbonylamino]-3-phenyl-propanoate

Systemtic Name: ethyl (2S)-2-[[3-[(4-dimethylaminophenyl)diazenyl]phenyl]carbonylamino]-3-phenyl-propanoate Openeye Name: ethyl (2S)-2-[[3-(4-dimethylaminophenyl)azobenzoyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[[3-(4-dimethylaminophenyl)azophenyl]-oxomethyl]amino]-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-[[3-[(4-dimethylaminophenyl)diazenyl]benzoyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[3-(4-dimethylaminophenyl)azobenzoyl]amino]-3-phenyl-propionic acid ethyl ester Formula: C26H28N4O3 MolecularWeight: 444.52552

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H28N4O3/c1-4-33-26(32)24(17-19-9-6-5-7-10-19)27-25(31)20-11-8-12-22(18-20)29-28-21-13-15-23(16-14-21)30(2)3/h5-16,18,24H,4,17H2,1-3H3,(H,27,31)/t24-/m0/s1