[2-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-2-oxidanylidene-ethyl] 1H-indazole-3-carboxylate

Systemtic Name: [2-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-2-oxidanylidene-ethyl] 1H-indazole-3-carboxylate Openeye Name: [2-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-2-oxo-ethyl] 1H-indazole-3-carboxylate CAS Name: 1H-indazole-3-carboxylic acid [2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-oxoethyl] 1H-indazole-3-carboxylate Traditional Name: 1H-indazole-3-carboxylic acid [2-[homoveratryl(methyl)amino]-2-keto-ethyl] ester Formula: C21H23N3O5 MolecularWeight: 397.42442

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC(=C(C=C1)OC)OC)C(=O)COC(=O)C2=NNC3=CC=CC=C32

Isomeric SMILES

CN(CCC1=CC(=C(C=C1)OC)OC)C(=O)COC(=O)C2=NNC3=CC=CC=C32

InChI

InChI=1S/C21H23N3O5/c1-24(11-10-14-8-9-17(27-2)18(12-14)28-3)19(25)13-29-21(26)20-15-6-4-5-7-16(15)22-23-20/h4-9,12H,10-11,13H2,1-3H3,(H,22,23)