tert-butyl (2S,3S)-2-[4-(hydroxymethyl)-7-oxidanylidene-3,6-dihydro-2H-azepin-1-yl]-3-methyl-pentanoate

Systemtic Name: tert-butyl (2S,3S)-2-[4-(hydroxymethyl)-7-oxidanylidene-3,6-dihydro-2H-azepin-1-yl]-3-methyl-pentanoate Openeye Name: tert-butyl (2S,3S)-2-[4-(hydroxymethyl)-7-oxo-3,6-dihydro-2H-azepin-1-yl]-3-methyl-pentanoate CAS Name: (2S,3S)-2-[4-(hydroxymethyl)-7-oxo-3,6-dihydro-2H-azepin-1-yl]-3-methylpentanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S,3S)-2-[4-(hydroxymethyl)-7-oxo-3,6-dihydro-2H-azepin-1-yl]-3-methylpentanoate Traditional Name: (2S,3S)-2-(7-keto-4-methylol-3,6-dihydro-2H-azepin-1-yl)-3-methyl-valeric acid tert-butyl ester Formula: C17H29NO4 MolecularWeight: 311.41646

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC(C)(C)C)N1CCC(=CCC1=O)CO

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)OC(C)(C)C)N1CCC(=CCC1=O)CO

InChI

InChI=1S/C17H29NO4/c1-6-12(2)15(16(21)22-17(3,4)5)18-10-9-13(11-19)7-8-14(18)20/h7,12,15,19H,6,8-11H2,1-5H3/t12-,15-/m0/s1