[3-oxidanylidene-3-[(phenylmethyl)carbamoylamino]propyl] 2,4,5-trimethoxybenzoate

Systemtic Name: [3-oxidanylidene-3-[(phenylmethyl)carbamoylamino]propyl] 2,4,5-trimethoxybenzoate Openeye Name: [3-(benzylcarbamoylamino)-3-oxo-propyl] 2,4,5-trimethoxybenzoate CAS Name: 2,4,5-trimethoxybenzoic acid [3-oxo-3-[[oxo-[(phenylmethyl)amino]methyl]amino]propyl] ester IUPAC Name: [3-(benzylcarbamoylamino)-3-oxopropyl] 2,4,5-trimethoxybenzoate Traditional Name: 2,4,5-trimethoxybenzoic acid [3-(benzylcarbamoylamino)-3-keto-propyl] ester Formula: C21H24N2O7 MolecularWeight: 416.42446

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)OCCC(=O)NC(=O)NCC2=CC=CC=C2)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)OCCC(=O)NC(=O)NCC2=CC=CC=C2)OC)OC

InChI

InChI=1S/C21H24N2O7/c1-27-16-12-18(29-3)17(28-2)11-15(16)20(25)30-10-9-19(24)23-21(26)22-13-14-7-5-4-6-8-14/h4-8,11-12H,9-10,13H2,1-3H3,(H2,22,23,24,26)