4-[5-azanyl-9-(butylamino)-3,3,8-trimethyl-6-oxidanyl-9-oxidanylidene-nonanoyl]-2,3-dihydro-1,4-benzoxazine-3-carboxamide

Systemtic Name: 4-[5-azanyl-9-(butylamino)-3,3,8-trimethyl-6-oxidanyl-9-oxidanylidene-nonanoyl]-2,3-dihydro-1,4-benzoxazine-3-carboxamide Openeye Name: 4-[5-amino-9-(butylamino)-6-hydroxy-3,3,8-trimethyl-9-oxo-nonanoyl]-2,3-dihydro-1,4-benzoxazine-3-carboxamide CAS Name: 4-[5-amino-9-(butylamino)-6-hydroxy-3,3,8-trimethyl-1,9-dioxononyl]-2,3-dihydro-1,4-benzoxazine-3-carboxamide IUPAC Name: 4-[5-amino-9-(butylamino)-6-hydroxy-3,3,8-trimethyl-9-oxononanoyl]-2,3-dihydro-1,4-benzoxazine-3-carboxamide Traditional Name: 4-[5-amino-9-(butylamino)-6-hydroxy-9-keto-3,3,8-trimethyl-nonanoyl]-2,3-dihydro-1,4-benzoxazine-3-carboxamide Formula: C25H40N4O5 MolecularWeight: 476.6089

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C(C)CC(C(CC(C)(C)CC(=O)N1C(COC2=CC=CC=C21)C(=O)N)N)O

Isomeric SMILES

CCCCNC(=O)C(C)CC(C(CC(C)(C)CC(=O)N1C(COC2=CC=CC=C21)C(=O)N)N)O

InChI

InChI=1S/C25H40N4O5/c1-5-6-11-28-24(33)16(2)12-20(30)17(26)13-25(3,4)14-22(31)29-18-9-7-8-10-21(18)34-15-19(29)23(27)32/h7-10,16-17,19-20,30H,5-6,11-15,26H2,1-4H3,(H2,27,32)(H,28,33)