[2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl] 3,4,5-trimethoxybenzoate

Systemtic Name: [2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl] 3,4,5-trimethoxybenzoate Openeye Name: [2-(cyclopropylamino)-2-oxo-1-phenyl-ethyl] 3,4,5-trimethoxybenzoate CAS Name: 3,4,5-trimethoxybenzoic acid [2-(cyclopropylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(cyclopropylamino)-2-oxo-1-phenylethyl] 3,4,5-trimethoxybenzoate Traditional Name: 3,4,5-trimethoxybenzoic acid [2-(cyclopropylamino)-2-keto-1-phenyl-ethyl] ester Formula: C21H23NO6 MolecularWeight: 385.41042

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)OC(C2=CC=CC=C2)C(=O)NC3CC3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)OC(C2=CC=CC=C2)C(=O)NC3CC3

InChI

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