tert-butyl N-[(4-methoxyphenyl)methyl]-N-[(E,2S)-1-oxidanyl-3-oxidanylidene-octadec-4-en-2-yl]carbamate

Systemtic Name: tert-butyl N-[(4-methoxyphenyl)methyl]-N-[(E,2S)-1-oxidanyl-3-oxidanylidene-octadec-4-en-2-yl]carbamate Openeye Name: tert-butyl N-[(E,1S)-1-(hydroxymethyl)-2-oxo-heptadec-3-enyl]-N-[(4-methoxyphenyl)methyl]carbamate CAS Name: N-[(E,2S)-1-hydroxy-3-oxooctadec-4-en-2-yl]-N-[(4-methoxyphenyl)methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(E,2S)-1-hydroxy-3-oxooctadec-4-en-2-yl]-N-[(4-methoxyphenyl)methyl]carbamate Traditional Name: N-[(E,1S)-2-keto-1-methylol-heptadec-3-enyl]-N-p-anisyl-carbamic acid tert-butyl ester Formula: C31H51NO5 MolecularWeight: 517.74034

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC=CC(=O)C(CO)N(CC1=CC=C(C=C1)OC)C(=O)OC(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCC/C=C/C(=O)[C@H](CO)N(CC1=CC=C(C=C1)OC)C(=O)OC(C)(C)C

InChI

InChI=1S/C31H51NO5/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-29(34)28(25-33)32(30(35)37-31(2,3)4)24-26-20-22-27(36-5)23-21-26/h18-23,28,33H,6-17,24-25H2,1-5H3/b19-18+/t28-/m0/s1