3-[4-[2-(2,3-dihydro-1,4-benzoxazin-4-yl)ethyl-heptyl-amino]phenyl]-2-ethoxy-propanoic acid

Systemtic Name: 3-[4-[2-(2,3-dihydro-1,4-benzoxazin-4-yl)ethyl-heptyl-amino]phenyl]-2-ethoxy-propanoic acid Openeye Name: 3-[4-[2-(2,3-dihydro-1,4-benzoxazin-4-yl)ethyl-heptyl-amino]phenyl]-2-ethoxy-propanoic acid CAS Name: 3-[4-[2-(2,3-dihydro-1,4-benzoxazin-4-yl)ethyl-heptylamino]phenyl]-2-ethoxypropanoic acid IUPAC Name: 3-[4-[2-(2,3-dihydro-1,4-benzoxazin-4-yl)ethyl-heptylamino]phenyl]-2-ethoxypropanoic acid Traditional Name: 3-[4-[2-(2,3-dihydro-1,4-benzoxazin-4-yl)ethyl-heptyl-amino]phenyl]-2-ethoxy-propionic acid Formula: C28H40N2O4 MolecularWeight: 468.6282

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN(CCN1CCOC2=CC=CC=C21)C3=CC=C(C=C3)CC(C(=O)O)OCC

Isomeric SMILES

CCCCCCCN(CCN1CCOC2=CC=CC=C21)C3=CC=C(C=C3)CC(C(=O)O)OCC

InChI

InChI=1S/C28H40N2O4/c1-3-5-6-7-10-17-29(18-19-30-20-21-34-26-12-9-8-11-25(26)30)24-15-13-23(14-16-24)22-27(28(31)32)33-4-2/h8-9,11-16,27H,3-7,10,17-22H2,1-2H3,(H,31,32)