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

Systemtic Name: 4-[5-azanyl-8-(butylcarbamoyl)-3,3,9-trimethyl-6-oxidanyl-decanoyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: 4-[5-amino-8-(butylcarbamoyl)-6-hydroxy-3,3,9-trimethyl-decanoyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: 4-[5-amino-8-[butylamino(oxo)methyl]-6-hydroxy-3,3,9-trimethyl-1-oxodecyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: 4-[5-amino-8-(butylcarbamoyl)-6-hydroxy-3,3,9-trimethyldecanoyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: 4-[5-amino-8-(butylcarbamoyl)-6-hydroxy-3,3,9-trimethyl-decanoyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C28H46N4O5 MolecularWeight: 518.68864

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H46N4O5/c1-7-8-13-31-26(35)19(18(2)3)14-22(33)20(29)15-28(4,5)16-25(34)32-17-24(27(36)30-6)37-23-12-10-9-11-21(23)32/h9-12,18-20,22,24,33H,7-8,13-17,29H2,1-6H3,(H,30,36)(H,31,35)