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

Systemtic Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxidanylidene-ethyl] 9H-xanthene-9-carboxylate Openeye Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxo-ethyl] 9H-xanthene-9-carboxylate CAS Name: 9H-xanthene-9-carboxylic acid [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 9H-xanthene-9-carboxylate Traditional Name: 9H-xanthene-9-carboxylic acid [2-keto-2-(veratrylamino)ethyl] ester Formula: C25H23NO6 MolecularWeight: 433.45322

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)COC(=O)C2C3=CC=CC=C3OC4=CC=CC=C24)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)COC(=O)C2C3=CC=CC=C3OC4=CC=CC=C24)OC

InChI

InChI=1S/C25H23NO6/c1-29-21-12-11-16(13-22(21)30-2)14-26-23(27)15-31-25(28)24-17-7-3-5-9-19(17)32-20-10-6-4-8-18(20)24/h3-13,24H,14-15H2,1-2H3,(H,26,27)