ethyl 2-[[(2S)-3-methyl-1-oxidanylidene-1-(4-phenylmethoxypiperidin-1-yl)butan-2-yl]amino]cyclohexene-1-carboxylate

Systemtic Name: ethyl 2-[[(2S)-3-methyl-1-oxidanylidene-1-(4-phenylmethoxypiperidin-1-yl)butan-2-yl]amino]cyclohexene-1-carboxylate Openeye Name: ethyl 2-[[(1S)-1-(4-benzyloxypiperidine-1-carbonyl)-2-methyl-propyl]amino]cyclohexene-1-carboxylate CAS Name: 2-[[(2S)-3-methyl-1-oxo-1-(4-phenylmethoxy-1-piperidinyl)butan-2-yl]amino]-1-cyclohexenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(2S)-3-methyl-1-oxo-1-(4-phenylmethoxypiperidin-1-yl)butan-2-yl]amino]cyclohexene-1-carboxylate Traditional Name: 2-[[(1S)-1-(4-benzoxypiperidine-1-carbonyl)-2-methyl-propyl]amino]cyclohexene-1-carboxylic acid ethyl ester Formula: C26H38N2O4 MolecularWeight: 442.59092

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(CCCC1)NC(C(C)C)C(=O)N2CCC(CC2)OCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(CCCC1)N[C@@H](C(C)C)C(=O)N2CCC(CC2)OCC3=CC=CC=C3

InChI

InChI=1S/C26H38N2O4/c1-4-31-26(30)22-12-8-9-13-23(22)27-24(19(2)3)25(29)28-16-14-21(15-17-28)32-18-20-10-6-5-7-11-20/h5-7,10-11,19,21,24,27H,4,8-9,12-18H2,1-3H3/t24-/m0/s1