methyl (2R)-4-methyl-2-[[1-[(4-phenylmethoxyphenyl)methyl]piperidin-4-yl]carbonylamino]pentanoate

Systemtic Name: methyl (2R)-4-methyl-2-[[1-[(4-phenylmethoxyphenyl)methyl]piperidin-4-yl]carbonylamino]pentanoate Openeye Name: methyl (2R)-2-[[1-[(4-benzyloxyphenyl)methyl]piperidine-4-carbonyl]amino]-4-methyl-pentanoate CAS Name: (2R)-4-methyl-2-[[oxo-[1-[(4-phenylmethoxyphenyl)methyl]-4-piperidinyl]methyl]amino]pentanoic acid methyl ester IUPAC Name: methyl (2R)-4-methyl-2-[[1-[(4-phenylmethoxyphenyl)methyl]piperidine-4-carbonyl]amino]pentanoate Traditional Name: (2R)-2-[[1-(4-benzoxybenzyl)isonipecotoyl]amino]-4-methyl-valeric acid methyl ester Formula: C27H36N2O4 MolecularWeight: 452.58574

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC)NC(=O)C1CCN(CC1)CC2=CC=C(C=C2)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)C[C@H](C(=O)OC)NC(=O)C1CCN(CC1)CC2=CC=C(C=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C27H36N2O4/c1-20(2)17-25(27(31)32-3)28-26(30)23-13-15-29(16-14-23)18-21-9-11-24(12-10-21)33-19-22-7-5-4-6-8-22/h4-12,20,23,25H,13-19H2,1-3H3,(H,28,30)/t25-/m1/s1