ethyl (2S)-2-acetamido-6-oxidanylidene-6-[2-[1-(phenylmethyl)piperidin-4-yl]ethylamino]hexanoate

Systemtic Name: ethyl (2S)-2-acetamido-6-oxidanylidene-6-[2-[1-(phenylmethyl)piperidin-4-yl]ethylamino]hexanoate Openeye Name: ethyl (2S)-2-acetamido-6-[2-(1-benzyl-4-piperidyl)ethylamino]-6-oxo-hexanoate CAS Name: (2S)-2-acetamido-6-oxo-6-[2-[1-(phenylmethyl)-4-piperidinyl]ethylamino]hexanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-acetamido-6-[2-(1-benzylpiperidin-4-yl)ethylamino]-6-oxohexanoate Traditional Name: (2S)-2-acetamido-6-[2-(1-benzyl-4-piperidyl)ethylamino]-6-keto-hexanoic acid ethyl ester Formula: C24H37N3O4 MolecularWeight: 431.56828

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCCC(=O)NCCC1CCN(CC1)CC2=CC=CC=C2)NC(=O)C

Isomeric SMILES

CCOC(=O)[C@H](CCCC(=O)NCCC1CCN(CC1)CC2=CC=CC=C2)NC(=O)C

InChI

InChI=1S/C24H37N3O4/c1-3-31-24(30)22(26-19(2)28)10-7-11-23(29)25-15-12-20-13-16-27(17-14-20)18-21-8-5-4-6-9-21/h4-6,8-9,20,22H,3,7,10-18H2,1-2H3,(H,25,29)(H,26,28)/t22-/m0/s1