2-[[2-[(4-cyanophenyl)amino]-2-(3-methoxy-4-phenylmethoxy-phenyl)ethanoyl]amino]-2,2-diphenyl-ethanoate

Systemtic Name: 2-[[2-[(4-cyanophenyl)amino]-2-(3-methoxy-4-phenylmethoxy-phenyl)ethanoyl]amino]-2,2-diphenyl-ethanoate Openeye Name: 2-[[2-(4-benzyloxy-3-methoxy-phenyl)-2-(4-cyanoanilino)acetyl]amino]-2,2-diphenyl-acetate CAS Name: 2-[[2-(4-cyanoanilino)-2-(3-methoxy-4-phenylmethoxyphenyl)-1-oxoethyl]amino]-2,2-diphenylacetate IUPAC Name: 2-[[2-(4-cyanoanilino)-2-(3-methoxy-4-phenylmethoxyphenyl)acetyl]amino]-2,2-diphenylacetate Traditional Name: 2-[[2-(4-benzoxy-3-methoxy-phenyl)-2-(4-cyanoanilino)acetyl]amino]-2,2-diphenyl-acetate Formula: C37H30N3O5- MolecularWeight: 596.6512

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(C(=O)NC(C2=CC=CC=C2)(C3=CC=CC=C3)C(=O)[O-])NC4=CC=C(C=C4)C#N)OCC5=CC=CC=C5

Isomeric SMILES

COC1=C(C=CC(=C1)C(C(=O)NC(C2=CC=CC=C2)(C3=CC=CC=C3)C(=O)[O-])NC4=CC=C(C=C4)C#N)OCC5=CC=CC=C5

InChI

InChI=1S/C37H31N3O5/c1-44-33-23-28(19-22-32(33)45-25-27-11-5-2-6-12-27)34(39-31-20-17-26(24-38)18-21-31)35(41)40-37(36(42)43,29-13-7-3-8-14-29)30-15-9-4-10-16-30/h2-23,34,39H,25H2,1H3,(H,40,41)(H,42,43)/p-1