5-azanyl-N-butyl-2,7,7-trimethyl-4-oxidanyl-9-oxidanylidene-9-[2-(prop-2-enoxymethyl)-2,3-dihydro-1,4-benzoxazin-4-yl]nonanamide

Systemtic Name: 5-azanyl-N-butyl-2,7,7-trimethyl-4-oxidanyl-9-oxidanylidene-9-[2-(prop-2-enoxymethyl)-2,3-dihydro-1,4-benzoxazin-4-yl]nonanamide Openeye Name: 9-[2-(allyloxymethyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-5-amino-N-butyl-4-hydroxy-2,7,7-trimethyl-9-oxo-nonanamide CAS Name: 5-amino-N-butyl-4-hydroxy-2,7,7-trimethyl-9-oxo-9-[2-(prop-2-enoxymethyl)-2,3-dihydro-1,4-benzoxazin-4-yl]nonanamide IUPAC Name: 5-amino-N-butyl-4-hydroxy-2,7,7-trimethyl-9-oxo-9-[2-(prop-2-enoxymethyl)-2,3-dihydro-1,4-benzoxazin-4-yl]nonanamide Traditional Name: 9-[2-(allyloxymethyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-5-amino-N-butyl-4-hydroxy-9-keto-2,7,7-trimethyl-pelargonamide Formula: C28H45N3O5 MolecularWeight: 503.674

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C(C)CC(C(CC(C)(C)CC(=O)N1CC(OC2=CC=CC=C21)COCC=C)N)O

Isomeric SMILES

CCCCNC(=O)C(C)CC(C(CC(C)(C)CC(=O)N1CC(OC2=CC=CC=C21)COCC=C)N)O

InChI

InChI=1S/C28H45N3O5/c1-6-8-13-30-27(34)20(3)15-24(32)22(29)16-28(4,5)17-26(33)31-18-21(19-35-14-7-2)36-25-12-10-9-11-23(25)31/h7,9-12,20-22,24,32H,2,6,8,13-19,29H2,1,3-5H3,(H,30,34)