(2S)-3-methyl-2-(2-phenoxyethanoylamino)-N-[1-(phenylmethyl)piperidin-4-yl]butanamide

Systemtic Name: (2S)-3-methyl-2-(2-phenoxyethanoylamino)-N-[1-(phenylmethyl)piperidin-4-yl]butanamide Openeye Name: (2S)-N-(1-benzyl-4-piperidyl)-3-methyl-2-[(2-phenoxyacetyl)amino]butanamide CAS Name: (2S)-3-methyl-2-[(1-oxo-2-phenoxyethyl)amino]-N-[1-(phenylmethyl)-4-piperidinyl]butanamide IUPAC Name: (2S)-N-(1-benzylpiperidin-4-yl)-3-methyl-2-[(2-phenoxyacetyl)amino]butanamide Traditional Name: (2S)-N-(1-benzyl-4-piperidyl)-3-methyl-2-[(2-phenoxyacetyl)amino]butyramide Formula: C25H33N3O3 MolecularWeight: 423.54782

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1CCN(CC1)CC2=CC=CC=C2)NC(=O)COC3=CC=CC=C3

Isomeric SMILES

CC(C)[C@@H](C(=O)NC1CCN(CC1)CC2=CC=CC=C2)NC(=O)COC3=CC=CC=C3

InChI

InChI=1S/C25H33N3O3/c1-19(2)24(27-23(29)18-31-22-11-7-4-8-12-22)25(30)26-21-13-15-28(16-14-21)17-20-9-5-3-6-10-20/h3-12,19,21,24H,13-18H2,1-2H3,(H,26,30)(H,27,29)/t24-/m0/s1