tert-butyl N-[(2S,10E,12E)-5-oxidanylidene-1-phenylmethoxy-nonadeca-10,12-dien-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2S,10E,12E)-5-oxidanylidene-1-phenylmethoxy-nonadeca-10,12-dien-2-yl]carbamate Openeye Name: tert-butyl N-[(1S,9E,11E)-1-(benzyloxymethyl)-4-oxo-octadeca-9,11-dienyl]carbamate CAS Name: N-[(2S,10E,12E)-5-oxo-1-phenylmethoxynonadeca-10,12-dien-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S,10E,12E)-5-oxo-1-phenylmethoxynonadeca-10,12-dien-2-yl]carbamate Traditional Name: N-[(1S,9E,11E)-1-(benzoxymethyl)-4-keto-octadeca-9,11-dienyl]carbamic acid tert-butyl ester Formula: C31H49NO4 MolecularWeight: 499.72506

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC=CC=CCCCCC(=O)CCC(COCC1=CC=CC=C1)NC(=O)OC(C)(C)C

Isomeric SMILES

CCCCCC/C=C/C=C/CCCCC(=O)CC[C@@H](COCC1=CC=CC=C1)NC(=O)OC(C)(C)C

InChI

InChI=1S/C31H49NO4/c1-5-6-7-8-9-10-11-12-13-14-15-19-22-29(33)24-23-28(32-30(34)36-31(2,3)4)26-35-25-27-20-17-16-18-21-27/h10-13,16-18,20-21,28H,5-9,14-15,19,22-26H2,1-4H3,(H,32,34)/b11-10+,13-12+/t28-/m0/s1