3-[2-[1-[(3,4-dimethoxyphenyl)methylamino]-1-oxidanylidene-propan-2-yl]oxyphenyl]propanoic acid

Systemtic Name: 3-[2-[1-[(3,4-dimethoxyphenyl)methylamino]-1-oxidanylidene-propan-2-yl]oxyphenyl]propanoic acid Openeye Name: 3-[2-[2-[(3,4-dimethoxyphenyl)methylamino]-1-methyl-2-oxo-ethoxy]phenyl]propanoic acid CAS Name: 3-[2-[1-[(3,4-dimethoxyphenyl)methylamino]-1-oxopropan-2-yl]oxyphenyl]propanoic acid IUPAC Name: 3-[2-[1-[(3,4-dimethoxyphenyl)methylamino]-1-oxopropan-2-yl]oxyphenyl]propanoic acid Traditional Name: 3-[2-[2-keto-1-methyl-2-(veratrylamino)ethoxy]phenyl]propionic acid Formula: C21H25NO6 MolecularWeight: 387.4263

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC(=C(C=C1)OC)OC)OC2=CC=CC=C2CCC(=O)O

Isomeric SMILES

CC(C(=O)NCC1=CC(=C(C=C1)OC)OC)OC2=CC=CC=C2CCC(=O)O

InChI

InChI=1S/C21H25NO6/c1-14(28-17-7-5-4-6-16(17)9-11-20(23)24)21(25)22-13-15-8-10-18(26-2)19(12-15)27-3/h4-8,10,12,14H,9,11,13H2,1-3H3,(H,22,25)(H,23,24)