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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN(C1=CC(=C(C=C1)F)C)C(=O)CN2CCC(C2)C(=O)O

Isomeric SMILES

CCCCCCCN(C1=CC(=C(C=C1)F)C)C(=O)CN2CCC(C2)C(=O)O

InChI

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