ethyl 4-[[1-[(2-fluorophenyl)methyl]-6-oxidanylidene-piperidin-3-yl]carbonylamino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[[1-[(2-fluorophenyl)methyl]-6-oxidanylidene-piperidin-3-yl]carbonylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[1-[(2-fluorophenyl)methyl]-6-oxo-piperidine-3-carbonyl]amino]piperidine-1-carboxylate CAS Name: 4-[[[1-[(2-fluorophenyl)methyl]-6-oxo-3-piperidinyl]-oxomethyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[1-[(2-fluorophenyl)methyl]-6-oxopiperidine-3-carbonyl]amino]piperidine-1-carboxylate Traditional Name: 4-[[1-(2-fluorobenzyl)-6-keto-nipecotoyl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C21H28FN3O4 MolecularWeight: 405.463123

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=O)C2CCC(=O)N(C2)CC3=CC=CC=C3F

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=O)C2CCC(=O)N(C2)CC3=CC=CC=C3F

InChI

InChI=1S/C21H28FN3O4/c1-2-29-21(28)24-11-9-17(10-12-24)23-20(27)16-7-8-19(26)25(14-16)13-15-5-3-4-6-18(15)22/h3-6,16-17H,2,7-14H2,1H3,(H,23,27)