methyl (2R)-2-[[1-[(3-ethoxy-2-methyl-phenyl)methyl]piperidin-4-yl]carbonylamino]-4-methyl-pentanoate

Systemtic Name: methyl (2R)-2-[[1-[(3-ethoxy-2-methyl-phenyl)methyl]piperidin-4-yl]carbonylamino]-4-methyl-pentanoate Openeye Name: methyl (2R)-2-[[1-[(3-ethoxy-2-methyl-phenyl)methyl]piperidine-4-carbonyl]amino]-4-methyl-pentanoate CAS Name: (2R)-2-[[[1-[(3-ethoxy-2-methylphenyl)methyl]-4-piperidinyl]-oxomethyl]amino]-4-methylpentanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[1-[(3-ethoxy-2-methylphenyl)methyl]piperidine-4-carbonyl]amino]-4-methylpentanoate Traditional Name: (2R)-2-[[1-(3-ethoxy-2-methyl-benzyl)isonipecotoyl]amino]-4-methyl-valeric acid methyl ester Formula: C23H36N2O4 MolecularWeight: 404.54294

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1C)CN2CCC(CC2)C(=O)NC(CC(C)C)C(=O)OC

Isomeric SMILES

CCOC1=CC=CC(=C1C)CN2CCC(CC2)C(=O)N[C@H](CC(C)C)C(=O)OC

InChI

InChI=1S/C23H36N2O4/c1-6-29-21-9-7-8-19(17(21)4)15-25-12-10-18(11-13-25)22(26)24-20(14-16(2)3)23(27)28-5/h7-9,16,18,20H,6,10-15H2,1-5H3,(H,24,26)/t20-/m1/s1