1-[(4-fluorophenyl)carbamoyl]-4-methoxycarbonyl-5-(3-methylphenyl)pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[(4-fluorophenyl)carbamoyl]-4-methoxycarbonyl-5-(3-methylphenyl)pyrrolidine-2-carboxylic acid Openeye Name: 1-[(4-fluorophenyl)carbamoyl]-4-methoxycarbonyl-5-(m-tolyl)pyrrolidine-2-carboxylic acid CAS Name: 1-[(4-fluoroanilino)-oxomethyl]-4-methoxycarbonyl-5-(3-methylphenyl)-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(4-fluorophenyl)carbamoyl]-4-methoxycarbonyl-5-(3-methylphenyl)pyrrolidine-2-carboxylic acid Traditional Name: 4-carbomethoxy-1-[(4-fluorophenyl)carbamoyl]-5-(m-tolyl)proline Formula: C21H21FN2O5 MolecularWeight: 400.400243

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2C(CC(N2C(=O)NC3=CC=C(C=C3)F)C(=O)O)C(=O)OC

Isomeric SMILES

CC1=CC=CC(=C1)C2C(CC(N2C(=O)NC3=CC=C(C=C3)F)C(=O)O)C(=O)OC

InChI

InChI=1S/C21H21FN2O5/c1-12-4-3-5-13(10-12)18-16(20(27)29-2)11-17(19(25)26)24(18)21(28)23-15-8-6-14(22)7-9-15/h3-10,16-18H,11H2,1-2H3,(H,23,28)(H,25,26)