tert-butyl (2S)-2-[[1-[2-(3-methoxyphenyl)-2-oxidanylidene-ethyl]piperidin-2-yl]carbonylamino]-4-methyl-hexanoate

Systemtic Name: tert-butyl (2S)-2-[[1-[2-(3-methoxyphenyl)-2-oxidanylidene-ethyl]piperidin-2-yl]carbonylamino]-4-methyl-hexanoate Openeye Name: tert-butyl (2S)-2-[[1-[2-(3-methoxyphenyl)-2-oxo-ethyl]piperidine-2-carbonyl]amino]-4-methyl-hexanoate CAS Name: (2S)-2-[[[1-[2-(3-methoxyphenyl)-2-oxoethyl]-2-piperidinyl]-oxomethyl]amino]-4-methylhexanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[[1-[2-(3-methoxyphenyl)-2-oxoethyl]piperidine-2-carbonyl]amino]-4-methylhexanoate Traditional Name: (2S)-2-[[1-[2-keto-2-(3-methoxyphenyl)ethyl]pipecoloyl]amino]-4-methyl-hexanoic acid tert-butyl ester Formula: C26H40N2O5 MolecularWeight: 460.6062

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CC(C(=O)OC(C)(C)C)NC(=O)C1CCCCN1CC(=O)C2=CC(=CC=C2)OC

Isomeric SMILES

CCC(C)C[C@@H](C(=O)OC(C)(C)C)NC(=O)C1CCCCN1CC(=O)C2=CC(=CC=C2)OC

InChI

InChI=1S/C26H40N2O5/c1-7-18(2)15-21(25(31)33-26(3,4)5)27-24(30)22-13-8-9-14-28(22)17-23(29)19-11-10-12-20(16-19)32-6/h10-12,16,18,21-22H,7-9,13-15,17H2,1-6H3,(H,27,30)/t18?,21-,22?/m0/s1