hexyl (2S)-2-benzamido-5-oxidanylidene-5-[2-[1-(phenylmethyl)piperidin-4-yl]ethylamino]pentanoate

Systemtic Name: hexyl (2S)-2-benzamido-5-oxidanylidene-5-[2-[1-(phenylmethyl)piperidin-4-yl]ethylamino]pentanoate Openeye Name: hexyl (2S)-2-benzamido-5-[2-(1-benzyl-4-piperidyl)ethylamino]-5-oxo-pentanoate CAS Name: (2S)-2-benzamido-5-oxo-5-[2-[1-(phenylmethyl)-4-piperidinyl]ethylamino]pentanoic acid hexyl ester IUPAC Name: hexyl (2S)-2-benzamido-5-[2-(1-benzylpiperidin-4-yl)ethylamino]-5-oxopentanoate Traditional Name: (2S)-2-benzamido-5-[2-(1-benzyl-4-piperidyl)ethylamino]-5-keto-valeric acid hexyl ester Formula: C32H45N3O4 MolecularWeight: 535.7174

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C(CCC(=O)NCCC1CCN(CC1)CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CCCCCCOC(=O)[C@H](CCC(=O)NCCC1CCN(CC1)CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C32H45N3O4/c1-2-3-4-11-24-39-32(38)29(34-31(37)28-14-9-6-10-15-28)16-17-30(36)33-21-18-26-19-22-35(23-20-26)25-27-12-7-5-8-13-27/h5-10,12-15,26,29H,2-4,11,16-25H2,1H3,(H,33,36)(H,34,37)/t29-/m0/s1