[2-[(3-methoxyphenyl)methylamino]-2-oxidanylidene-ethyl] 3-(3,4,5-trimethoxyphenyl)propanoate

Systemtic Name: [2-[(3-methoxyphenyl)methylamino]-2-oxidanylidene-ethyl] 3-(3,4,5-trimethoxyphenyl)propanoate Openeye Name: [2-[(3-methoxyphenyl)methylamino]-2-oxo-ethyl] 3-(3,4,5-trimethoxyphenyl)propanoate CAS Name: 3-(3,4,5-trimethoxyphenyl)propanoic acid [2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 3-(3,4,5-trimethoxyphenyl)propanoate Traditional Name: 3-(3,4,5-trimethoxyphenyl)propionic acid [2-keto-2-(m-anisylamino)ethyl] ester Formula: C22H27NO7 MolecularWeight: 417.45228

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CNC(=O)COC(=O)CCC2=CC(=C(C(=C2)OC)OC)OC

Isomeric SMILES

COC1=CC=CC(=C1)CNC(=O)COC(=O)CCC2=CC(=C(C(=C2)OC)OC)OC

InChI

InChI=1S/C22H27NO7/c1-26-17-7-5-6-16(10-17)13-23-20(24)14-30-21(25)9-8-15-11-18(27-2)22(29-4)19(12-15)28-3/h5-7,10-12H,8-9,13-14H2,1-4H3,(H,23,24)