[(2S)-1-[(4-cyano-1-methyl-piperidin-4-yl)amino]-3-(4-ethylphenyl)-1-oxidanylidene-propan-2-yl] morpholine-4-carboxylate

Systemtic Name: [(2S)-1-[(4-cyano-1-methyl-piperidin-4-yl)amino]-3-(4-ethylphenyl)-1-oxidanylidene-propan-2-yl] morpholine-4-carboxylate Openeye Name: [(1S)-2-[(4-cyano-1-methyl-4-piperidyl)amino]-1-[(4-ethylphenyl)methyl]-2-oxo-ethyl] morpholine-4-carboxylate CAS Name: 4-morpholinecarboxylic acid [(2S)-1-[(4-cyano-1-methyl-4-piperidinyl)amino]-3-(4-ethylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[(4-cyano-1-methylpiperidin-4-yl)amino]-3-(4-ethylphenyl)-1-oxopropan-2-yl] morpholine-4-carboxylate Traditional Name: morpholine-4-carboxylic acid [(1S)-2-[(4-cyano-1-methyl-4-piperidyl)amino]-1-(4-ethylbenzyl)-2-keto-ethyl] ester Formula: C23H32N4O4 MolecularWeight: 428.52458

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CC(C(=O)NC2(CCN(CC2)C)C#N)OC(=O)N3CCOCC3

Isomeric SMILES

CCC1=CC=C(C=C1)C[C@@H](C(=O)NC2(CCN(CC2)C)C#N)OC(=O)N3CCOCC3

InChI

InChI=1S/C23H32N4O4/c1-3-18-4-6-19(7-5-18)16-20(31-22(29)27-12-14-30-15-13-27)21(28)25-23(17-24)8-10-26(2)11-9-23/h4-7,20H,3,8-16H2,1-2H3,(H,25,28)/t20-/m0/s1