2-[2-[2-[4-[4-(methylamino)-4-oxidanylidene-butyl]-3-oxidanylidene-1,4-benzoxazin-2-yl]ethoxy]phenyl]ethanoic acid

Systemtic Name: 2-[2-[2-[4-[4-(methylamino)-4-oxidanylidene-butyl]-3-oxidanylidene-1,4-benzoxazin-2-yl]ethoxy]phenyl]ethanoic acid Openeye Name: 2-[2-[2-[4-[4-(methylamino)-4-oxo-butyl]-3-oxo-1,4-benzoxazin-2-yl]ethoxy]phenyl]acetic acid CAS Name: 2-[2-[2-[4-[4-(methylamino)-4-oxobutyl]-3-oxo-1,4-benzoxazin-2-yl]ethoxy]phenyl]acetic acid IUPAC Name: 2-[2-[2-[4-[4-(methylamino)-4-oxobutyl]-3-oxo-1,4-benzoxazin-2-yl]ethoxy]phenyl]acetic acid Traditional Name: 2-[2-[2-[3-keto-4-[4-keto-4-(methylamino)butyl]-1,4-benzoxazin-2-yl]ethoxy]phenyl]acetic acid Formula: C23H26N2O6 MolecularWeight: 426.46234

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)CCCN1C2=CC=CC=C2OC(C1=O)CCOC3=CC=CC=C3CC(=O)O

Isomeric SMILES

CNC(=O)CCCN1C2=CC=CC=C2OC(C1=O)CCOC3=CC=CC=C3CC(=O)O

InChI

InChI=1S/C23H26N2O6/c1-24-21(26)11-6-13-25-17-8-3-5-10-19(17)31-20(23(25)29)12-14-30-18-9-4-2-7-16(18)15-22(27)28/h2-5,7-10,20H,6,11-15H2,1H3,(H,24,26)(H,27,28)