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

Systemtic Name: 4-[[6-(2-ethylhexanoylamino)-2,3-dihydro-1,4-benzoxazin-4-yl]methyl]-3-methoxy-benzoic acid Openeye Name: 4-[[6-(2-ethylhexanoylamino)-2,3-dihydro-1,4-benzoxazin-4-yl]methyl]-3-methoxy-benzoic acid CAS Name: 4-[[6-[(2-ethyl-1-oxohexyl)amino]-2,3-dihydro-1,4-benzoxazin-4-yl]methyl]-3-methoxybenzoic acid IUPAC Name: 4-[[6-(2-ethylhexanoylamino)-2,3-dihydro-1,4-benzoxazin-4-yl]methyl]-3-methoxybenzoic acid Traditional Name: 4-[[6-(2-ethylhexanoylamino)-2,3-dihydro-1,4-benzoxazin-4-yl]methyl]-3-methoxy-benzoic acid Formula: C25H32N2O5 MolecularWeight: 440.53198

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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)O)OC

Isomeric SMILES

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

InChI

InChI=1S/C25H32N2O5/c1-4-6-7-17(5-2)24(28)26-20-10-11-22-21(15-20)27(12-13-32-22)16-19-9-8-18(25(29)30)14-23(19)31-3/h8-11,14-15,17H,4-7,12-13,16H2,1-3H3,(H,26,28)(H,29,30)