methyl 2-(butylcarbamoyl)-9-(2,3-dihydro-1,4-benzoxazin-4-yl)-9-oxidanylidene-nonanoate

Systemtic Name: methyl 2-(butylcarbamoyl)-9-(2,3-dihydro-1,4-benzoxazin-4-yl)-9-oxidanylidene-nonanoate Openeye Name: methyl 2-(butylcarbamoyl)-9-(2,3-dihydro-1,4-benzoxazin-4-yl)-9-oxo-nonanoate CAS Name: 2-[butylamino(oxo)methyl]-9-(2,3-dihydro-1,4-benzoxazin-4-yl)-9-oxononanoic acid methyl ester IUPAC Name: methyl 2-(butylcarbamoyl)-9-(2,3-dihydro-1,4-benzoxazin-4-yl)-9-oxononanoate Traditional Name: 2-(butylcarbamoyl)-9-(2,3-dihydro-1,4-benzoxazin-4-yl)-9-keto-pelargonic acid methyl ester Formula: C23H34N2O5 MolecularWeight: 418.52646

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C(CCCCCCC(=O)N1CCOC2=CC=CC=C21)C(=O)OC

Isomeric SMILES

CCCCNC(=O)C(CCCCCCC(=O)N1CCOC2=CC=CC=C21)C(=O)OC

InChI

InChI=1S/C23H34N2O5/c1-3-4-15-24-22(27)18(23(28)29-2)11-7-5-6-8-14-21(26)25-16-17-30-20-13-10-9-12-19(20)25/h9-10,12-13,18H,3-8,11,14-17H2,1-2H3,(H,24,27)