4-[[2-[(4-cyanophenyl)amino]-2-(3-methoxy-4-phenylmethoxy-phenyl)ethanoyl]amino]benzoic acid

Systemtic Name: 4-[[2-[(4-cyanophenyl)amino]-2-(3-methoxy-4-phenylmethoxy-phenyl)ethanoyl]amino]benzoic acid Openeye Name: 4-[[2-(4-benzyloxy-3-methoxy-phenyl)-2-(4-cyanoanilino)acetyl]amino]benzoic acid CAS Name: 4-[[2-(4-cyanoanilino)-2-(3-methoxy-4-phenylmethoxyphenyl)-1-oxoethyl]amino]benzoic acid IUPAC Name: 4-[[2-(4-cyanoanilino)-2-(3-methoxy-4-phenylmethoxyphenyl)acetyl]amino]benzoic acid Traditional Name: 4-[[2-(4-benzoxy-3-methoxy-phenyl)-2-(4-cyanoanilino)acetyl]amino]benzoic acid Formula: C30H25N3O5 MolecularWeight: 507.5366

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(C(=O)NC2=CC=C(C=C2)C(=O)O)NC3=CC=C(C=C3)C#N)OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=CC(=C1)C(C(=O)NC2=CC=C(C=C2)C(=O)O)NC3=CC=C(C=C3)C#N)OCC4=CC=CC=C4

InChI

InChI=1S/C30H25N3O5/c1-37-27-17-23(11-16-26(27)38-19-21-5-3-2-4-6-21)28(32-24-12-7-20(18-31)8-13-24)29(34)33-25-14-9-22(10-15-25)30(35)36/h2-17,28,32H,19H2,1H3,(H,33,34)(H,35,36)