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

Systemtic Name: 1-[2-[(4-cyanophenyl)amino]-2-(3-methoxy-4-phenylmethoxy-phenyl)ethanoyl]pyrrolidine-2-carboxylate Openeye Name: 1-[2-(4-benzyloxy-3-methoxy-phenyl)-2-(4-cyanoanilino)acetyl]pyrrolidine-2-carboxylate CAS Name: 1-[2-(4-cyanoanilino)-2-(3-methoxy-4-phenylmethoxyphenyl)-1-oxoethyl]-2-pyrrolidinecarboxylate IUPAC Name: 1-[2-(4-cyanoanilino)-2-(3-methoxy-4-phenylmethoxyphenyl)acetyl]pyrrolidine-2-carboxylate Traditional Name: 1-[2-(4-benzoxy-3-methoxy-phenyl)-2-(4-cyanoanilino)acetyl]pyrrolidine-2-carboxylate Formula: C28H26N3O5- MolecularWeight: 484.52314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(C(=O)N2CCCC2C(=O)[O-])NC3=CC=C(C=C3)C#N)OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=CC(=C1)C(C(=O)N2CCCC2C(=O)[O-])NC3=CC=C(C=C3)C#N)OCC4=CC=CC=C4

InChI

InChI=1S/C28H27N3O5/c1-35-25-16-21(11-14-24(25)36-18-20-6-3-2-4-7-20)26(30-22-12-9-19(17-29)10-13-22)27(32)31-15-5-8-23(31)28(33)34/h2-4,6-7,9-14,16,23,26,30H,5,8,15,18H2,1H3,(H,33,34)/p-1