2-azanyl-3-(6-fluoranyl-3,4-dimethoxy-6-methyl-cyclohexa-2,4-dien-1-yl)propanoic acid

Systemtic Name: 2-azanyl-3-(6-fluoranyl-3,4-dimethoxy-6-methyl-cyclohexa-2,4-dien-1-yl)propanoic acid Openeye Name: 2-amino-3-(6-fluoro-3,4-dimethoxy-6-methyl-cyclohexa-2,4-dien-1-yl)propanoic acid CAS Name: 2-amino-3-(6-fluoro-3,4-dimethoxy-6-methyl-1-cyclohexa-2,4-dienyl)propanoic acid IUPAC Name: 2-amino-3-(6-fluoro-3,4-dimethoxy-6-methylcyclohexa-2,4-dien-1-yl)propanoic acid Traditional Name: 2-amino-3-(6-fluoro-3,4-dimethoxy-6-methyl-cyclohexa-2,4-dien-1-yl)propionic acid Formula: C12H18FNO4 MolecularWeight: 259.274023

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C=C(C(=CC1CC(C(=O)O)N)OC)OC)F

Isomeric SMILES

CC1(C=C(C(=CC1CC(C(=O)O)N)OC)OC)F

InChI

InChI=1S/C12H18FNO4/c1-12(13)6-10(18-3)9(17-2)5-7(12)4-8(14)11(15)16/h5-8H,4,14H2,1-3H3,(H,15,16)