1-[2-[(4-fluoranyl-3-methyl-phenyl)-heptan-4-yl-amino]-2-oxidanylidene-ethyl]pyrrolidine-3-carboxylic acid

Systemtic Name: 1-[2-[(4-fluoranyl-3-methyl-phenyl)-heptan-4-yl-amino]-2-oxidanylidene-ethyl]pyrrolidine-3-carboxylic acid Openeye Name: 1-[2-[4-fluoro-3-methyl-N-(1-propylbutyl)anilino]-2-oxo-ethyl]pyrrolidine-3-carboxylic acid CAS Name: 1-[2-(4-fluoro-N-heptan-4-yl-3-methylanilino)-2-oxoethyl]-3-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-(4-fluoro-N-heptan-4-yl-3-methylanilino)-2-oxoethyl]pyrrolidine-3-carboxylic acid Traditional Name: 1-[2-[4-fluoro-3-methyl-N-(1-propylbutyl)anilino]-2-keto-ethyl]pyrrolidine-3-carboxylic acid Formula: C21H31FN2O3 MolecularWeight: 378.480843

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)N(C1=CC(=C(C=C1)F)C)C(=O)CN2CCC(C2)C(=O)O

Isomeric SMILES

CCCC(CCC)N(C1=CC(=C(C=C1)F)C)C(=O)CN2CCC(C2)C(=O)O

InChI

InChI=1S/C21H31FN2O3/c1-4-6-17(7-5-2)24(18-8-9-19(22)15(3)12-18)20(25)14-23-11-10-16(13-23)21(26)27/h8-9,12,16-17H,4-7,10-11,13-14H2,1-3H3,(H,26,27)