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

Systemtic Name: 4-[[6-(hexanoylamino)-2,3-dihydro-1,4-benzoxazin-4-yl]methyl]-3-oxidanyl-benzoic acid Openeye Name: 4-[[6-(hexanoylamino)-2,3-dihydro-1,4-benzoxazin-4-yl]methyl]-3-hydroxy-benzoic acid CAS Name: 3-hydroxy-4-[[6-(1-oxohexylamino)-2,3-dihydro-1,4-benzoxazin-4-yl]methyl]benzoic acid IUPAC Name: 4-[[6-(hexanoylamino)-2,3-dihydro-1,4-benzoxazin-4-yl]methyl]-3-hydroxybenzoic acid Traditional Name: 4-[[6-(caproylamino)-2,3-dihydro-1,4-benzoxazin-4-yl]methyl]-3-hydroxy-benzoic acid Formula: C22H26N2O5 MolecularWeight: 398.45224

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC1=CC2=C(C=C1)OCCN2CC3=C(C=C(C=C3)C(=O)O)O

Isomeric SMILES

CCCCCC(=O)NC1=CC2=C(C=C1)OCCN2CC3=C(C=C(C=C3)C(=O)O)O

InChI

InChI=1S/C22H26N2O5/c1-2-3-4-5-21(26)23-17-8-9-20-18(13-17)24(10-11-29-20)14-16-7-6-15(22(27)28)12-19(16)25/h6-9,12-13,25H,2-5,10-11,14H2,1H3,(H,23,26)(H,27,28)