methyl (2S,3S)-3-(4-cyanophenyl)-3-[(2-hydroxyphenyl)amino]-2-[(4-nitrophenyl)methoxy]-2-phenyl-propanoate

Systemtic Name: methyl (2S,3S)-3-(4-cyanophenyl)-3-[(2-hydroxyphenyl)amino]-2-[(4-nitrophenyl)methoxy]-2-phenyl-propanoate Openeye Name: methyl (2S,3S)-3-(4-cyanophenyl)-3-(2-hydroxyanilino)-2-[(4-nitrophenyl)methoxy]-2-phenyl-propanoate CAS Name: (2S,3S)-3-(4-cyanophenyl)-3-(2-hydroxyanilino)-2-[(4-nitrophenyl)methoxy]-2-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S,3S)-3-(4-cyanophenyl)-3-(2-hydroxyanilino)-2-[(4-nitrophenyl)methoxy]-2-phenylpropanoate Traditional Name: (2S,3S)-3-(4-cyanophenyl)-3-(2-hydroxyanilino)-2-(4-nitrobenzyl)oxy-2-phenyl-propionic acid methyl ester Formula: C30H25N3O6 MolecularWeight: 523.536

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1=CC=CC=C1)(C(C2=CC=C(C=C2)C#N)NC3=CC=CC=C3O)OCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

COC(=O)[C@](C1=CC=CC=C1)([C@H](C2=CC=C(C=C2)C#N)NC3=CC=CC=C3O)OCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C30H25N3O6/c1-38-29(35)30(24-7-3-2-4-8-24,39-20-22-13-17-25(18-14-22)33(36)37)28(23-15-11-21(19-31)12-16-23)32-26-9-5-6-10-27(26)34/h2-18,28,32,34H,20H2,1H3/t28-,30-/m0/s1