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

Systemtic Name: ethyl 4-[5-azanyl-9-(butylamino)-3,3,8-trimethyl-6-oxidanyl-9-oxidanylidene-nonanoyl]-2-methyl-3H-1,4-benzoxazine-2-carboxylate Openeye Name: ethyl 4-[5-amino-9-(butylamino)-6-hydroxy-3,3,8-trimethyl-9-oxo-nonanoyl]-2-methyl-3H-1,4-benzoxazine-2-carboxylate CAS Name: 4-[5-amino-9-(butylamino)-6-hydroxy-3,3,8-trimethyl-1,9-dioxononyl]-2-methyl-3H-1,4-benzoxazine-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[5-amino-9-(butylamino)-6-hydroxy-3,3,8-trimethyl-9-oxononanoyl]-2-methyl-3H-1,4-benzoxazine-2-carboxylate Traditional Name: 4-[5-amino-9-(butylamino)-6-hydroxy-9-keto-3,3,8-trimethyl-nonanoyl]-2-methyl-3H-1,4-benzoxazine-2-carboxylic acid ethyl ester Formula: C28H45N3O6 MolecularWeight: 519.6734

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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)C(=O)OCC)N)O

Isomeric SMILES

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

InChI

InChI=1S/C28H45N3O6/c1-7-9-14-30-25(34)19(3)15-22(32)20(29)16-27(4,5)17-24(33)31-18-28(6,26(35)36-8-2)37-23-13-11-10-12-21(23)31/h10-13,19-20,22,32H,7-9,14-18,29H2,1-6H3,(H,30,34)