2-[1-[(3,4-dimethoxyphenyl)methylamino]-1-oxidanylidene-propan-2-yl]oxy-5-methyl-benzoic acid

Systemtic Name: 2-[1-[(3,4-dimethoxyphenyl)methylamino]-1-oxidanylidene-propan-2-yl]oxy-5-methyl-benzoic acid Openeye Name: 2-[2-[(3,4-dimethoxyphenyl)methylamino]-1-methyl-2-oxo-ethoxy]-5-methyl-benzoic acid CAS Name: 2-[1-[(3,4-dimethoxyphenyl)methylamino]-1-oxopropan-2-yl]oxy-5-methylbenzoic acid IUPAC Name: 2-[1-[(3,4-dimethoxyphenyl)methylamino]-1-oxopropan-2-yl]oxy-5-methylbenzoic acid Traditional Name: 2-[2-keto-1-methyl-2-(veratrylamino)ethoxy]-5-methyl-benzoic acid Formula: C20H23NO6 MolecularWeight: 373.39972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC(C)C(=O)NCC2=CC(=C(C=C2)OC)OC)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)OC(C)C(=O)NCC2=CC(=C(C=C2)OC)OC)C(=O)O

InChI

InChI=1S/C20H23NO6/c1-12-5-7-16(15(9-12)20(23)24)27-13(2)19(22)21-11-14-6-8-17(25-3)18(10-14)26-4/h5-10,13H,11H2,1-4H3,(H,21,22)(H,23,24)