[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxidanylidene-ethyl] 2,4,5-trimethoxybenzoate

Systemtic Name: [2-[(4-methoxycarbonylphenyl)methylamino]-2-oxidanylidene-ethyl] 2,4,5-trimethoxybenzoate Openeye Name: [2-[(4-methoxycarbonylphenyl)methylamino]-2-oxo-ethyl] 2,4,5-trimethoxybenzoate CAS Name: 2,4,5-trimethoxybenzoic acid [2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl] 2,4,5-trimethoxybenzoate Traditional Name: 2,4,5-trimethoxybenzoic acid [2-[(4-carbomethoxybenzyl)amino]-2-keto-ethyl] ester Formula: C21H23NO8 MolecularWeight: 417.40922

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)OCC(=O)NCC2=CC=C(C=C2)C(=O)OC)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)OCC(=O)NCC2=CC=C(C=C2)C(=O)OC)OC)OC

InChI

InChI=1S/C21H23NO8/c1-26-16-10-18(28-3)17(27-2)9-15(16)21(25)30-12-19(23)22-11-13-5-7-14(8-6-13)20(24)29-4/h5-10H,11-12H2,1-4H3,(H,22,23)