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

Systemtic Name: 2-[[2-[(4-cyanophenyl)amino]-2-(3-methoxy-4-phenylmethoxy-phenyl)ethanoyl]amino]-3-phenyl-propanoic acid Openeye Name: 2-[[2-(4-benzyloxy-3-methoxy-phenyl)-2-(4-cyanoanilino)acetyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[2-(4-cyanoanilino)-2-(3-methoxy-4-phenylmethoxyphenyl)-1-oxoethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[2-(4-cyanoanilino)-2-(3-methoxy-4-phenylmethoxyphenyl)acetyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[2-(4-benzoxy-3-methoxy-phenyl)-2-(4-cyanoanilino)acetyl]amino]-3-phenyl-propionic acid Formula: C32H29N3O5 MolecularWeight: 535.58976

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(C(=O)NC(CC2=CC=CC=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)NC(CC2=CC=CC=C2)C(=O)O)NC3=CC=C(C=C3)C#N)OCC4=CC=CC=C4

InChI

InChI=1S/C32H29N3O5/c1-39-29-19-25(14-17-28(29)40-21-24-10-6-3-7-11-24)30(34-26-15-12-23(20-33)13-16-26)31(36)35-27(32(37)38)18-22-8-4-2-5-9-22/h2-17,19,27,30,34H,18,21H2,1H3,(H,35,36)(H,37,38)