ethyl 4-[[(2S)-2-[(2-fluorophenyl)carbonylamino]-3-methyl-butanoyl]amino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[[(2S)-2-[(2-fluorophenyl)carbonylamino]-3-methyl-butanoyl]amino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[(2S)-2-[(2-fluorobenzoyl)amino]-3-methyl-butanoyl]amino]piperidine-1-carboxylate CAS Name: 4-[[(2S)-2-[[(2-fluorophenyl)-oxomethyl]amino]-3-methyl-1-oxobutyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[(2S)-2-[(2-fluorobenzoyl)amino]-3-methylbutanoyl]amino]piperidine-1-carboxylate Traditional Name: 4-[[(2S)-2-[(2-fluorobenzoyl)amino]-3-methyl-butanoyl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C20H28FN3O4 MolecularWeight: 393.452423

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=O)C(C(C)C)NC(=O)C2=CC=CC=C2F

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=O)[C@H](C(C)C)NC(=O)C2=CC=CC=C2F

InChI

InChI=1S/C20H28FN3O4/c1-4-28-20(27)24-11-9-14(10-12-24)22-19(26)17(13(2)3)23-18(25)15-7-5-6-8-16(15)21/h5-8,13-14,17H,4,9-12H2,1-3H3,(H,22,26)(H,23,25)/t17-/m0/s1