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

Systemtic Name: ethyl 4-[5-azanyl-9-(butylamino)-3,3,8-trimethyl-6-oxidanyl-9-oxidanylidene-nonanoyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C27H43N3O6 MolecularWeight: 505.64682

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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)OCC)N)O

Isomeric SMILES

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

InChI

InChI=1S/C27H43N3O6/c1-6-8-13-29-25(33)18(3)14-21(31)19(28)15-27(4,5)16-24(32)30-17-23(26(34)35-7-2)36-22-12-10-9-11-20(22)30/h9-12,18-19,21,23,31H,6-8,13-17,28H2,1-5H3,(H,29,33)