methyl 4-[[6-(2-ethylhexanoylamino)-2,3-dihydro-1,4-benzoxazin-4-yl]methyl]-3-methoxy-benzoate

Systemtic Name: methyl 4-[[6-(2-ethylhexanoylamino)-2,3-dihydro-1,4-benzoxazin-4-yl]methyl]-3-methoxy-benzoate Openeye Name: methyl 4-[[6-(2-ethylhexanoylamino)-2,3-dihydro-1,4-benzoxazin-4-yl]methyl]-3-methoxy-benzoate CAS Name: 4-[[6-[(2-ethyl-1-oxohexyl)amino]-2,3-dihydro-1,4-benzoxazin-4-yl]methyl]-3-methoxybenzoic acid methyl ester IUPAC Name: methyl 4-[[6-(2-ethylhexanoylamino)-2,3-dihydro-1,4-benzoxazin-4-yl]methyl]-3-methoxybenzoate Traditional Name: 4-[[6-(2-ethylhexanoylamino)-2,3-dihydro-1,4-benzoxazin-4-yl]methyl]-3-methoxy-benzoic acid methyl ester Formula: C26H34N2O5 MolecularWeight: 454.55856

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)NC1=CC2=C(C=C1)OCCN2CC3=C(C=C(C=C3)C(=O)OC)OC

Isomeric SMILES

CCCCC(CC)C(=O)NC1=CC2=C(C=C1)OCCN2CC3=C(C=C(C=C3)C(=O)OC)OC

InChI

InChI=1S/C26H34N2O5/c1-5-7-8-18(6-2)25(29)27-21-11-12-23-22(16-21)28(13-14-33-23)17-20-10-9-19(26(30)32-4)15-24(20)31-3/h9-12,15-16,18H,5-8,13-14,17H2,1-4H3,(H,27,29)