5-[[(2S)-2-ethylhexanoyl]amino]-N-(phenylmethyl)-2-piperidin-1-yl-benzamide

Systemtic Name: 5-[[(2S)-2-ethylhexanoyl]amino]-N-(phenylmethyl)-2-piperidin-1-yl-benzamide Openeye Name: N-benzyl-5-[[(2S)-2-ethylhexanoyl]amino]-2-(1-piperidyl)benzamide CAS Name: 5-[[(2S)-2-ethyl-1-oxohexyl]amino]-N-(phenylmethyl)-2-(1-piperidinyl)benzamide IUPAC Name: N-benzyl-5-[[(2S)-2-ethylhexanoyl]amino]-2-piperidin-1-ylbenzamide Traditional Name: N-benzyl-5-[[(2S)-2-ethylhexanoyl]amino]-2-piperidino-benzamide Formula: C27H37N3O2 MolecularWeight: 435.60158

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)NC1=CC(=C(C=C1)N2CCCCC2)C(=O)NCC3=CC=CC=C3

Isomeric SMILES

CCCC[C@H](CC)C(=O)NC1=CC(=C(C=C1)N2CCCCC2)C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C27H37N3O2/c1-3-5-14-22(4-2)26(31)29-23-15-16-25(30-17-10-7-11-18-30)24(19-23)27(32)28-20-21-12-8-6-9-13-21/h6,8-9,12-13,15-16,19,22H,3-5,7,10-11,14,17-18,20H2,1-2H3,(H,28,32)(H,29,31)/t22-/m0/s1