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

Systemtic Name: 2-[[6-(2-ethylhexanoylamino)-1,4-benzoxazin-4-yl]methyl]-3-methoxy-benzoic acid Openeye Name: 2-[[6-(2-ethylhexanoylamino)-1,4-benzoxazin-4-yl]methyl]-3-methoxy-benzoic acid CAS Name: 2-[[6-[(2-ethyl-1-oxohexyl)amino]-1,4-benzoxazin-4-yl]methyl]-3-methoxybenzoic acid IUPAC Name: 2-[[6-(2-ethylhexanoylamino)-1,4-benzoxazin-4-yl]methyl]-3-methoxybenzoic acid Traditional Name: 2-[[6-(2-ethylhexanoylamino)-1,4-benzoxazin-4-yl]methyl]-3-methoxy-benzoic acid 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=CN2CC3=C(C=CC=C3OC)C(=O)O

Isomeric SMILES

CCCCC(CC)C(=O)NC1=CC2=C(C=C1)OC=CN2CC3=C(C=CC=C3OC)C(=O)O

InChI

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