[(2R)-1-[(4-methoxyphenyl)methylamino]-1-oxidanylidene-propan-2-yl] 3,4,5-trimethoxybenzoate

Systemtic Name: [(2R)-1-[(4-methoxyphenyl)methylamino]-1-oxidanylidene-propan-2-yl] 3,4,5-trimethoxybenzoate Openeye Name: [(1R)-2-[(4-methoxyphenyl)methylamino]-1-methyl-2-oxo-ethyl] 3,4,5-trimethoxybenzoate CAS Name: 3,4,5-trimethoxybenzoic acid [(2R)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 3,4,5-trimethoxybenzoate Traditional Name: 3,4,5-trimethoxybenzoic acid [(1R)-2-keto-1-methyl-2-(p-anisylamino)ethyl] ester Formula: C21H25NO7 MolecularWeight: 403.4257

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=C(C=C1)OC)OC(=O)C2=CC(=C(C(=C2)OC)OC)OC

Isomeric SMILES

C[C@H](C(=O)NCC1=CC=C(C=C1)OC)OC(=O)C2=CC(=C(C(=C2)OC)OC)OC

InChI

InChI=1S/C21H25NO7/c1-13(20(23)22-12-14-6-8-16(25-2)9-7-14)29-21(24)15-10-17(26-3)19(28-5)18(11-15)27-4/h6-11,13H,12H2,1-5H3,(H,22,23)/t13-/m1/s1