tert-butyl N-[(E)-8-chloranyl-2-methyl-6-oxidanyl-4-oxidanylidene-5-(phenylmethyl)non-7-en-3-yl]carbamate

Systemtic Name: tert-butyl N-[(E)-8-chloranyl-2-methyl-6-oxidanyl-4-oxidanylidene-5-(phenylmethyl)non-7-en-3-yl]carbamate Openeye Name: tert-butyl N-[(E)-3-benzyl-6-chloro-4-hydroxy-1-isopropyl-2-oxo-hept-5-enyl]carbamate CAS Name: N-[(E)-8-chloro-6-hydroxy-2-methyl-4-oxo-5-(phenylmethyl)non-7-en-3-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(E)-5-benzyl-8-chloro-6-hydroxy-2-methyl-4-oxonon-7-en-3-yl]carbamate Traditional Name: N-[(E)-3-benzyl-6-chloro-4-hydroxy-1-isopropyl-2-keto-hept-5-enyl]carbamic acid tert-butyl ester Formula: C22H32ClNO4 MolecularWeight: 409.94678

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)C(CC1=CC=CC=C1)C(C=C(C)Cl)O)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)C(C(=O)C(CC1=CC=CC=C1)C(/C=C(\C)/Cl)O)NC(=O)OC(C)(C)C

InChI

InChI=1S/C22H32ClNO4/c1-14(2)19(24-21(27)28-22(4,5)6)20(26)17(18(25)12-15(3)23)13-16-10-8-7-9-11-16/h7-12,14,17-19,25H,13H2,1-6H3,(H,24,27)/b15-12+