methyl 3-[(3S)-3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]carbonylbenzoate

Systemtic Name: methyl 3-[(3S)-3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]carbonylbenzoate Openeye Name: methyl 3-[(3S)-3-[4-(4-fluorophenyl)piperazin-1-yl]piperidine-1-carbonyl]benzoate CAS Name: 3-[[(3S)-3-[4-(4-fluorophenyl)-1-piperazinyl]-1-piperidinyl]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 3-[(3S)-3-[4-(4-fluorophenyl)piperazin-1-yl]piperidine-1-carbonyl]benzoate Traditional Name: 3-[(3S)-3-[4-(4-fluorophenyl)piperazino]piperidine-1-carbonyl]benzoic acid methyl ester Formula: C24H28FN3O3 MolecularWeight: 425.495823

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC(=C1)C(=O)N2CCCC(C2)N3CCN(CC3)C4=CC=C(C=C4)F

Isomeric SMILES

COC(=O)C1=CC=CC(=C1)C(=O)N2CCC[C@@H](C2)N3CCN(CC3)C4=CC=C(C=C4)F

InChI

InChI=1S/C24H28FN3O3/c1-31-24(30)19-5-2-4-18(16-19)23(29)28-11-3-6-22(17-28)27-14-12-26(13-15-27)21-9-7-20(25)8-10-21/h2,4-5,7-10,16,22H,3,6,11-15,17H2,1H3/t22-/m0/s1