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

Systemtic Name: 1-[2-[(4-cyanophenyl)amino]-2-(3-methoxy-4-phenylmethoxy-phenyl)ethanoyl]pyrrolidine-3-carboxylic acid Openeye Name: 1-[2-(4-benzyloxy-3-methoxy-phenyl)-2-(4-cyanoanilino)acetyl]pyrrolidine-3-carboxylic acid CAS Name: 1-[2-(4-cyanoanilino)-2-(3-methoxy-4-phenylmethoxyphenyl)-1-oxoethyl]-3-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-(4-cyanoanilino)-2-(3-methoxy-4-phenylmethoxyphenyl)acetyl]pyrrolidine-3-carboxylic acid Traditional Name: 1-[2-(4-benzoxy-3-methoxy-phenyl)-2-(4-cyanoanilino)acetyl]pyrrolidine-3-carboxylic acid Formula: C28H27N3O5 MolecularWeight: 485.53108

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(C(=O)N2CCC(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)N2CCC(C2)C(=O)O)NC3=CC=C(C=C3)C#N)OCC4=CC=CC=C4

InChI

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