[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxidanylidene-ethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate

Systemtic Name: [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxidanylidene-ethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate Openeye Name: [2-[[(1S)-1-methylpropyl]carbamoylamino]-2-oxo-ethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate CAS Name: 1-[anilino(oxo)methyl]-4-piperidinecarboxylic acid [2-[[[[(2S)-butan-2-yl]amino]-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate Traditional Name: 1-(phenylcarbamoyl)isonipecotic acid [2-keto-2-[[(1S)-1-methylpropyl]carbamoylamino]ethyl] ester Formula: C20H28N4O5 MolecularWeight: 404.46012

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)NC(=O)COC(=O)C1CCN(CC1)C(=O)NC2=CC=CC=C2

Isomeric SMILES

CC[C@H](C)NC(=O)NC(=O)COC(=O)C1CCN(CC1)C(=O)NC2=CC=CC=C2

InChI

InChI=1S/C20H28N4O5/c1-3-14(2)21-19(27)23-17(25)13-29-18(26)15-9-11-24(12-10-15)20(28)22-16-7-5-4-6-8-16/h4-8,14-15H,3,9-13H2,1-2H3,(H,22,28)(H2,21,23,25,27)/t14-/m0/s1