2-[(4-cyanophenyl)amino]-2-[5-methoxy-2-(2-phenylethanoylamino)-4-phenylmethoxy-phenyl]ethanoic acid

Systemtic Name: 2-[(4-cyanophenyl)amino]-2-[5-methoxy-2-(2-phenylethanoylamino)-4-phenylmethoxy-phenyl]ethanoic acid Openeye Name: 2-[4-benzyloxy-5-methoxy-2-[(2-phenylacetyl)amino]phenyl]-2-(4-cyanoanilino)acetic acid CAS Name: 2-(4-cyanoanilino)-2-[5-methoxy-2-[(1-oxo-2-phenylethyl)amino]-4-phenylmethoxyphenyl]acetic acid IUPAC Name: 2-(4-cyanoanilino)-2-[5-methoxy-2-[(2-phenylacetyl)amino]-4-phenylmethoxyphenyl]acetic acid Traditional Name: 2-[4-benzoxy-5-methoxy-2-[(2-phenylacetyl)amino]phenyl]-2-(4-cyanoanilino)acetic acid Formula: C31H27N3O5 MolecularWeight: 521.56318

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(C(=O)O)NC2=CC=C(C=C2)C#N)NC(=O)CC3=CC=CC=C3)OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=C(C(=C1)C(C(=O)O)NC2=CC=C(C=C2)C#N)NC(=O)CC3=CC=CC=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C31H27N3O5/c1-38-27-17-25(30(31(36)37)33-24-14-12-22(19-32)13-15-24)26(34-29(35)16-21-8-4-2-5-9-21)18-28(27)39-20-23-10-6-3-7-11-23/h2-15,17-18,30,33H,16,20H2,1H3,(H,34,35)(H,36,37)