[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxidanylidene-ethyl] anthracene-9-carboxylate

Systemtic Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxidanylidene-ethyl] anthracene-9-carboxylate Openeye Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxo-ethyl] anthracene-9-carboxylate CAS Name: 9-anthracenecarboxylic acid [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] anthracene-9-carboxylate Traditional Name: anthracene-9-carboxylic acid [2-keto-2-(veratrylamino)ethyl] ester Formula: C26H23NO5 MolecularWeight: 429.46452

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)COC(=O)C2=C3C=CC=CC3=CC4=CC=CC=C42)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)COC(=O)C2=C3C=CC=CC3=CC4=CC=CC=C42)OC

InChI

InChI=1S/C26H23NO5/c1-30-22-12-11-17(13-23(22)31-2)15-27-24(28)16-32-26(29)25-20-9-5-3-7-18(20)14-19-8-4-6-10-21(19)25/h3-14H,15-16H2,1-2H3,(H,27,28)