[2-[2-(methylcarbamoyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-2-oxidanylidene-ethyl] 4-butoxybenzoate

Systemtic Name: [2-[2-(methylcarbamoyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-2-oxidanylidene-ethyl] 4-butoxybenzoate Openeye Name: [2-[2-(methylcarbamoyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-2-oxo-ethyl] 4-butoxybenzoate CAS Name: 4-butoxybenzoic acid [2-[2-(methylcarbamoyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-2-oxoethyl] ester IUPAC Name: [2-[2-(methylcarbamoyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-2-oxoethyl] 4-butoxybenzoate Traditional Name: 4-butoxybenzoic acid [2-keto-2-[2-(methylcarbamoyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl] ester Formula: C23H26N2O6 MolecularWeight: 426.46234

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)OCC(=O)N2CC(OC3=CC=CC=C32)C(=O)NC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)OCC(=O)N2CC(OC3=CC=CC=C32)C(=O)NC

InChI

InChI=1S/C23H26N2O6/c1-3-4-13-29-17-11-9-16(10-12-17)23(28)30-15-21(26)25-14-20(22(27)24-2)31-19-8-6-5-7-18(19)25/h5-12,20H,3-4,13-15H2,1-2H3,(H,24,27)