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

Systemtic Name: methyl 3-[[6-(hexanoylamino)-2,3-dihydro-1,4-benzoxazin-4-yl]methyl]benzoate Openeye Name: methyl 3-[[6-(hexanoylamino)-2,3-dihydro-1,4-benzoxazin-4-yl]methyl]benzoate CAS Name: 3-[[6-(1-oxohexylamino)-2,3-dihydro-1,4-benzoxazin-4-yl]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[6-(hexanoylamino)-2,3-dihydro-1,4-benzoxazin-4-yl]methyl]benzoate Traditional Name: 3-[[6-(caproylamino)-2,3-dihydro-1,4-benzoxazin-4-yl]methyl]benzoic acid methyl ester Formula: C23H28N2O4 MolecularWeight: 396.47942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2O4/c1-3-4-5-9-22(26)24-19-10-11-21-20(15-19)25(12-13-29-21)16-17-7-6-8-18(14-17)23(27)28-2/h6-8,10-11,14-15H,3-5,9,12-13,16H2,1-2H3,(H,24,26)