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

Systemtic Name: 2-[[2-[(4-cyanophenyl)amino]-2-(3-methoxy-4-phenylmethoxy-phenyl)ethanoyl]amino]-2-methyl-propanoic acid Openeye Name: 2-[[2-(4-benzyloxy-3-methoxy-phenyl)-2-(4-cyanoanilino)acetyl]amino]-2-methyl-propanoic acid CAS Name: 2-[[2-(4-cyanoanilino)-2-(3-methoxy-4-phenylmethoxyphenyl)-1-oxoethyl]amino]-2-methylpropanoic acid IUPAC Name: 2-[[2-(4-cyanoanilino)-2-(3-methoxy-4-phenylmethoxyphenyl)acetyl]amino]-2-methylpropanoic acid Traditional Name: 2-[[2-(4-benzoxy-3-methoxy-phenyl)-2-(4-cyanoanilino)acetyl]amino]-2-methyl-propionic acid Formula: C27H27N3O5 MolecularWeight: 473.52038

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)O)NC(=O)C(C1=CC(=C(C=C1)OCC2=CC=CC=C2)OC)NC3=CC=C(C=C3)C#N

Isomeric SMILES

CC(C)(C(=O)O)NC(=O)C(C1=CC(=C(C=C1)OCC2=CC=CC=C2)OC)NC3=CC=C(C=C3)C#N

InChI

InChI=1S/C27H27N3O5/c1-27(2,26(32)33)30-25(31)24(29-21-12-9-18(16-28)10-13-21)20-11-14-22(23(15-20)34-3)35-17-19-7-5-4-6-8-19/h4-15,24,29H,17H2,1-3H3,(H,30,31)(H,32,33)