[(1R)-2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl] 2,3,4-trimethoxybenzoate

Systemtic Name: [(1R)-2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl] 2,3,4-trimethoxybenzoate Openeye Name: [(1R)-2-(cyclopropylamino)-2-oxo-1-phenyl-ethyl] 2,3,4-trimethoxybenzoate CAS Name: 2,3,4-trimethoxybenzoic acid [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2,3,4-trimethoxybenzoate Traditional Name: 2,3,4-trimethoxybenzoic acid [(1R)-2-(cyclopropylamino)-2-keto-1-phenyl-ethyl] ester Formula: C21H23NO6 MolecularWeight: 385.41042

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C(=O)OC(C2=CC=CC=C2)C(=O)NC3CC3)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)C(=O)O[C@H](C2=CC=CC=C2)C(=O)NC3CC3)OC)OC

InChI

InChI=1S/C21H23NO6/c1-25-16-12-11-15(18(26-2)19(16)27-3)21(24)28-17(13-7-5-4-6-8-13)20(23)22-14-9-10-14/h4-8,11-12,14,17H,9-10H2,1-3H3,(H,22,23)/t17-/m1/s1