(2S)-3-methyl-2-(2-phenylethanoylamino)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]butanamide

Systemtic Name: (2S)-3-methyl-2-(2-phenylethanoylamino)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]butanamide Openeye Name: (2S)-3-methyl-2-[(2-phenylacetyl)amino]-N-[[4-(1-piperidylmethyl)phenyl]methyl]butanamide CAS Name: (2S)-3-methyl-2-[(1-oxo-2-phenylethyl)amino]-N-[[4-(1-piperidinylmethyl)phenyl]methyl]butanamide IUPAC Name: (2S)-3-methyl-2-[(2-phenylacetyl)amino]-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]butanamide Traditional Name: (2S)-3-methyl-2-[(2-phenylacetyl)amino]-N-[4-(piperidinomethyl)benzyl]butyramide Formula: C26H35N3O2 MolecularWeight: 421.575

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCC1=CC=C(C=C1)CN2CCCCC2)NC(=O)CC3=CC=CC=C3

Isomeric SMILES

CC(C)[C@@H](C(=O)NCC1=CC=C(C=C1)CN2CCCCC2)NC(=O)CC3=CC=CC=C3

InChI

InChI=1S/C26H35N3O2/c1-20(2)25(28-24(30)17-21-9-5-3-6-10-21)26(31)27-18-22-11-13-23(14-12-22)19-29-15-7-4-8-16-29/h3,5-6,9-14,20,25H,4,7-8,15-19H2,1-2H3,(H,27,31)(H,28,30)/t25-/m0/s1