[2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-2-oxidanylidene-ethyl] quinoline-2-carboxylate

Systemtic Name: [2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-2-oxidanylidene-ethyl] quinoline-2-carboxylate Openeye Name: [2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-2-oxo-ethyl] quinoline-2-carboxylate CAS Name: 2-quinolinecarboxylic acid [2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl] quinoline-2-carboxylate Traditional Name: quinaldic acid [2-[cyclohexyl-(4-fluorobenzyl)amino]-2-keto-ethyl] ester Formula: C25H25FN2O3 MolecularWeight: 420.476003

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N(CC2=CC=C(C=C2)F)C(=O)COC(=O)C3=NC4=CC=CC=C4C=C3

Isomeric SMILES

C1CCC(CC1)N(CC2=CC=C(C=C2)F)C(=O)COC(=O)C3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C25H25FN2O3/c26-20-13-10-18(11-14-20)16-28(21-7-2-1-3-8-21)24(29)17-31-25(30)23-15-12-19-6-4-5-9-22(19)27-23/h4-6,9-15,21H,1-3,7-8,16-17H2