1-[(4-fluorophenyl)carbamoyl]-4-methoxycarbonyl-5-(4-methoxyphenyl)pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[(4-fluorophenyl)carbamoyl]-4-methoxycarbonyl-5-(4-methoxyphenyl)pyrrolidine-2-carboxylic acid Openeye Name: 1-[(4-fluorophenyl)carbamoyl]-4-methoxycarbonyl-5-(4-methoxyphenyl)pyrrolidine-2-carboxylic acid CAS Name: 1-[(4-fluoroanilino)-oxomethyl]-4-methoxycarbonyl-5-(4-methoxyphenyl)-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(4-fluorophenyl)carbamoyl]-4-methoxycarbonyl-5-(4-methoxyphenyl)pyrrolidine-2-carboxylic acid Traditional Name: 4-carbomethoxy-1-[(4-fluorophenyl)carbamoyl]-5-(4-methoxyphenyl)proline Formula: C21H21FN2O6 MolecularWeight: 416.399643

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2C(CC(N2C(=O)NC3=CC=C(C=C3)F)C(=O)O)C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)C2C(CC(N2C(=O)NC3=CC=C(C=C3)F)C(=O)O)C(=O)OC

InChI

InChI=1S/C21H21FN2O6/c1-29-15-9-3-12(4-10-15)18-16(20(27)30-2)11-17(19(25)26)24(18)21(28)23-14-7-5-13(22)6-8-14/h3-10,16-18H,11H2,1-2H3,(H,23,28)(H,25,26)