1-[[2-[(4-cyanophenyl)amino]-2-(3-methoxy-4-phenylmethoxy-phenyl)ethanoyl]amino]cyclopentane-1-carboxylate

Systemtic Name: 1-[[2-[(4-cyanophenyl)amino]-2-(3-methoxy-4-phenylmethoxy-phenyl)ethanoyl]amino]cyclopentane-1-carboxylate Openeye Name: 1-[[2-(4-benzyloxy-3-methoxy-phenyl)-2-(4-cyanoanilino)acetyl]amino]cyclopentanecarboxylate CAS Name: 1-[[2-(4-cyanoanilino)-2-(3-methoxy-4-phenylmethoxyphenyl)-1-oxoethyl]amino]-1-cyclopentanecarboxylate IUPAC Name: 1-[[2-(4-cyanoanilino)-2-(3-methoxy-4-phenylmethoxyphenyl)acetyl]amino]cyclopentane-1-carboxylate Traditional Name: 1-[[2-(4-benzoxy-3-methoxy-phenyl)-2-(4-cyanoanilino)acetyl]amino]cyclopentanecarboxylate Formula: C29H28N3O5- MolecularWeight: 498.54972

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(C(=O)NC2(CCCC2)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(CCCC2)C(=O)[O-])NC3=CC=C(C=C3)C#N)OCC4=CC=CC=C4

InChI

InChI=1S/C29H29N3O5/c1-36-25-17-22(11-14-24(25)37-19-21-7-3-2-4-8-21)26(31-23-12-9-20(18-30)10-13-23)27(33)32-29(28(34)35)15-5-6-16-29/h2-4,7-14,17,26,31H,5-6,15-16,19H2,1H3,(H,32,33)(H,34,35)/p-1