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

Systemtic Name: methyl 4-[5-azanyl-9-(butylamino)-3,3,8-trimethyl-6-oxidanyl-9-oxidanylidene-nonanoyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylate Openeye Name: methyl 4-[5-amino-9-(butylamino)-6-hydroxy-3,3,8-trimethyl-9-oxo-nonanoyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylate CAS Name: 4-[5-amino-9-(butylamino)-6-hydroxy-3,3,8-trimethyl-1,9-dioxononyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid methyl ester IUPAC Name: methyl 4-[5-amino-9-(butylamino)-6-hydroxy-3,3,8-trimethyl-9-oxononanoyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylate Traditional Name: 4-[5-amino-9-(butylamino)-6-hydroxy-9-keto-3,3,8-trimethyl-nonanoyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid methyl ester Formula: C26H41N3O6 MolecularWeight: 491.62024

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H41N3O6/c1-6-7-12-28-24(32)17(2)13-20(30)18(27)14-26(3,4)15-23(31)29-16-22(25(33)34-5)35-21-11-9-8-10-19(21)29/h8-11,17-18,20,22,30H,6-7,12-16,27H2,1-5H3,(H,28,32)