8-(heptanoylamino)-4-(4-oxidanyl-4-oxidanylidene-butyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid

Systemtic Name: 8-(heptanoylamino)-4-(4-oxidanyl-4-oxidanylidene-butyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid Openeye Name: 8-(heptanoylamino)-4-(4-hydroxy-4-oxo-butyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid CAS Name: 4-(4-hydroxy-4-oxobutyl)-8-(1-oxoheptylamino)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid IUPAC Name: 8-(heptanoylamino)-4-(4-hydroxy-4-oxobutyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid Traditional Name: 8-(enanthylamino)-4-(4-hydroxy-4-keto-butyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid Formula: C20H28N2O6 MolecularWeight: 392.44612

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)NC1=CC=CC2=C1OC(CN2CCCC(=O)O)C(=O)O

Isomeric SMILES

CCCCCCC(=O)NC1=CC=CC2=C1OC(CN2CCCC(=O)O)C(=O)O

InChI

InChI=1S/C20H28N2O6/c1-2-3-4-5-10-17(23)21-14-8-6-9-15-19(14)28-16(20(26)27)13-22(15)12-7-11-18(24)25/h6,8-9,16H,2-5,7,10-13H2,1H3,(H,21,23)(H,24,25)(H,26,27)