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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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