methyl 4-[5-azanyl-8-(butylcarbamoyl)-3,3,9-trimethyl-6-oxidanyl-decanoyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylate

Systemtic Name: methyl 4-[5-azanyl-8-(butylcarbamoyl)-3,3,9-trimethyl-6-oxidanyl-decanoyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylate Openeye Name: methyl 4-[5-amino-8-(butylcarbamoyl)-6-hydroxy-3,3,9-trimethyl-decanoyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylate CAS Name: 4-[5-amino-8-[butylamino(oxo)methyl]-6-hydroxy-3,3,9-trimethyl-1-oxodecyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid methyl ester IUPAC Name: methyl 4-[5-amino-8-(butylcarbamoyl)-6-hydroxy-3,3,9-trimethyldecanoyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylate Traditional Name: 4-[5-amino-8-(butylcarbamoyl)-6-hydroxy-3,3,9-trimethyl-decanoyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid methyl ester Formula: C28H45N3O6 MolecularWeight: 519.6734

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H45N3O6/c1-7-8-13-30-26(34)19(18(2)3)14-22(32)20(29)15-28(4,5)16-25(33)31-17-24(27(35)36-6)37-23-12-10-9-11-21(23)31/h9-12,18-20,22,24,32H,7-8,13-17,29H2,1-6H3,(H,30,34)