[6-(2-ethylhexanoylamino)-1,4-benzoxazin-4-yl]methyl 3-methoxybenzoate

Systemtic Name: [6-(2-ethylhexanoylamino)-1,4-benzoxazin-4-yl]methyl 3-methoxybenzoate Openeye Name: [6-(2-ethylhexanoylamino)-1,4-benzoxazin-4-yl]methyl 3-methoxybenzoate CAS Name: 3-methoxybenzoic acid [6-[(2-ethyl-1-oxohexyl)amino]-1,4-benzoxazin-4-yl]methyl ester IUPAC Name: [6-(2-ethylhexanoylamino)-1,4-benzoxazin-4-yl]methyl 3-methoxybenzoate Traditional Name: 3-methoxybenzoic acid [6-(2-ethylhexanoylamino)-1,4-benzoxazin-4-yl]methyl ester Formula: C25H30N2O5 MolecularWeight: 438.5161

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)NC1=CC2=C(C=C1)OC=CN2COC(=O)C3=CC(=CC=C3)OC

Isomeric SMILES

CCCCC(CC)C(=O)NC1=CC2=C(C=C1)OC=CN2COC(=O)C3=CC(=CC=C3)OC

InChI

InChI=1S/C25H30N2O5/c1-4-6-8-18(5-2)24(28)26-20-11-12-23-22(16-20)27(13-14-31-23)17-32-25(29)19-9-7-10-21(15-19)30-3/h7,9-16,18H,4-6,8,17H2,1-3H3,(H,26,28)