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

Systemtic Name: 2-[[6-(hexanoylamino)-1,4-benzoxazin-4-yl]methyl]-3-methoxy-benzoic acid Openeye Name: 2-[[6-(hexanoylamino)-1,4-benzoxazin-4-yl]methyl]-3-methoxy-benzoic acid CAS Name: 3-methoxy-2-[[6-(1-oxohexylamino)-1,4-benzoxazin-4-yl]methyl]benzoic acid IUPAC Name: 2-[[6-(hexanoylamino)-1,4-benzoxazin-4-yl]methyl]-3-methoxybenzoic acid Traditional Name: 2-[[6-(caproylamino)-1,4-benzoxazin-4-yl]methyl]-3-methoxy-benzoic acid Formula: C23H26N2O5 MolecularWeight: 410.46294

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N2O5/c1-3-4-5-9-22(26)24-16-10-11-21-19(14-16)25(12-13-30-21)15-18-17(23(27)28)7-6-8-20(18)29-2/h6-8,10-14H,3-5,9,15H2,1-2H3,(H,24,26)(H,27,28)