methyl 5-[4-[3-[(4-fluorophenyl)methylamino]-3-oxidanylidene-propyl]piperidin-1-yl]-5-oxidanylidene-pentanoate

Systemtic Name: methyl 5-[4-[3-[(4-fluorophenyl)methylamino]-3-oxidanylidene-propyl]piperidin-1-yl]-5-oxidanylidene-pentanoate Openeye Name: methyl 5-[4-[3-[(4-fluorophenyl)methylamino]-3-oxo-propyl]-1-piperidyl]-5-oxo-pentanoate CAS Name: 5-[4-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]-1-piperidinyl]-5-oxopentanoic acid methyl ester IUPAC Name: methyl 5-[4-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]piperidin-1-yl]-5-oxopentanoate Traditional Name: 5-[4-[3-[(4-fluorobenzyl)amino]-3-keto-propyl]piperidino]-5-keto-valeric acid methyl ester Formula: C21H29FN2O4 MolecularWeight: 392.464363

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCC(=O)N1CCC(CC1)CCC(=O)NCC2=CC=C(C=C2)F

Isomeric SMILES

COC(=O)CCCC(=O)N1CCC(CC1)CCC(=O)NCC2=CC=C(C=C2)F

InChI

InChI=1S/C21H29FN2O4/c1-28-21(27)4-2-3-20(26)24-13-11-16(12-14-24)7-10-19(25)23-15-17-5-8-18(22)9-6-17/h5-6,8-9,16H,2-4,7,10-15H2,1H3,(H,23,25)