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

Systemtic Name: methyl 4-[[6-(hexanoylamino)-2,3-dihydro-1,4-benzoxazin-4-yl]methyl]-3-methoxy-benzoate Openeye Name: methyl 4-[[6-(hexanoylamino)-2,3-dihydro-1,4-benzoxazin-4-yl]methyl]-3-methoxy-benzoate CAS Name: 3-methoxy-4-[[6-(1-oxohexylamino)-2,3-dihydro-1,4-benzoxazin-4-yl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[6-(hexanoylamino)-2,3-dihydro-1,4-benzoxazin-4-yl]methyl]-3-methoxybenzoate Traditional Name: 4-[[6-(caproylamino)-2,3-dihydro-1,4-benzoxazin-4-yl]methyl]-3-methoxy-benzoic acid methyl ester Formula: C24H30N2O5 MolecularWeight: 426.5054

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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)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C24H30N2O5/c1-4-5-6-7-23(27)25-19-10-11-21-20(15-19)26(12-13-31-21)16-18-9-8-17(24(28)30-3)14-22(18)29-2/h8-11,14-15H,4-7,12-13,16H2,1-3H3,(H,25,27)