[2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-2-oxidanylidene-ethyl] quinoline-5-carboxylate

Systemtic Name: [2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-2-oxidanylidene-ethyl] quinoline-5-carboxylate Openeye Name: [2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-2-oxo-ethyl] quinoline-5-carboxylate CAS Name: 5-quinolinecarboxylic acid [2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl] quinoline-5-carboxylate Traditional Name: quinoline-5-carboxylic 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=C4C=CC=NC4=CC=C3

Isomeric SMILES

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

InChI

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