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

Systemtic Name: methyl (2S,3S)-3-methyl-2-[[4-(phenylmethyl)piperidin-1-yl]carbonylamino]pentanoate Openeye Name: methyl (2S,3S)-2-[(4-benzylpiperidine-1-carbonyl)amino]-3-methyl-pentanoate CAS Name: (2S,3S)-3-methyl-2-[[oxo-[4-(phenylmethyl)-1-piperidinyl]methyl]amino]pentanoic acid methyl ester IUPAC Name: methyl (2S,3S)-2-[(4-benzylpiperidine-1-carbonyl)amino]-3-methylpentanoate Traditional Name: (2S,3S)-2-[(4-benzylpiperidine-1-carbonyl)amino]-3-methyl-valeric acid methyl ester Formula: C20H30N2O3 MolecularWeight: 346.4638

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC)NC(=O)N1CCC(CC1)CC2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C20H30N2O3/c1-4-15(2)18(19(23)25-3)21-20(24)22-12-10-17(11-13-22)14-16-8-6-5-7-9-16/h5-9,15,17-18H,4,10-14H2,1-3H3,(H,21,24)/t15-,18-/m0/s1