2-methoxy-3-[4-[3-(2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)propylamino]phenyl]propanoic acid

Systemtic Name: 2-methoxy-3-[4-[3-(2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)propylamino]phenyl]propanoic acid Openeye Name: 2-methoxy-3-[4-[3-(2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)propylamino]phenyl]propanoic acid CAS Name: 2-methoxy-3-[4-[3-(2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)propylamino]phenyl]propanoic acid IUPAC Name: 2-methoxy-3-[4-[3-(2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)propylamino]phenyl]propanoic acid Traditional Name: 2-methoxy-3-[4-[3-(2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)propylamino]phenyl]propionic acid Formula: C22H28N2O4 MolecularWeight: 384.46872

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(C2=CC=CC=C2O1)CCCNC3=CC=C(C=C3)CC(C(=O)O)OC

Isomeric SMILES

CC1CN(C2=CC=CC=C2O1)CCCNC3=CC=C(C=C3)CC(C(=O)O)OC

InChI

InChI=1S/C22H28N2O4/c1-16-15-24(19-6-3-4-7-20(19)28-16)13-5-12-23-18-10-8-17(9-11-18)14-21(27-2)22(25)26/h3-4,6-11,16,21,23H,5,12-15H2,1-2H3,(H,25,26)