(2S)-3-methyl-2-[[4-(phenylmethyl)piperidin-1-yl]carbonylamino]butanoate

Systemtic Name: (2S)-3-methyl-2-[[4-(phenylmethyl)piperidin-1-yl]carbonylamino]butanoate Openeye Name: (2S)-2-[(4-benzylpiperidine-1-carbonyl)amino]-3-methyl-butanoate CAS Name: (2S)-3-methyl-2-[[oxo-[4-(phenylmethyl)-1-piperidinyl]methyl]amino]butanoate IUPAC Name: (2S)-2-[(4-benzylpiperidine-1-carbonyl)amino]-3-methylbutanoate Traditional Name: (2S)-2-[(4-benzylpiperidine-1-carbonyl)amino]-3-methyl-butyrate Formula: C18H25N2O3- MolecularWeight: 317.4027

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)[O-])NC(=O)N1CCC(CC1)CC2=CC=CC=C2

Isomeric SMILES

CC(C)[C@@H](C(=O)[O-])NC(=O)N1CCC(CC1)CC2=CC=CC=C2

InChI

InChI=1S/C18H26N2O3/c1-13(2)16(17(21)22)19-18(23)20-10-8-15(9-11-20)12-14-6-4-3-5-7-14/h3-7,13,15-16H,8-12H2,1-2H3,(H,19,23)(H,21,22)/p-1/t16-/m0/s1