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

Systemtic Name: 4-[[6-(hexanoylamino)-2,3-dihydro-1,4-benzoxazin-4-yl]methyl]-3-methoxy-benzoic acid Openeye Name: 4-[[6-(hexanoylamino)-2,3-dihydro-1,4-benzoxazin-4-yl]methyl]-3-methoxy-benzoic acid CAS Name: 3-methoxy-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-methoxybenzoic acid Traditional Name: 4-[[6-(caproylamino)-2,3-dihydro-1,4-benzoxazin-4-yl]methyl]-3-methoxy-benzoic acid Formula: C23H28N2O5 MolecularWeight: 412.47882

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2O5/c1-3-4-5-6-22(26)24-18-9-10-20-19(14-18)25(11-12-30-20)15-17-8-7-16(23(27)28)13-21(17)29-2/h7-10,13-14H,3-6,11-12,15H2,1-2H3,(H,24,26)(H,27,28)