3-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl]-1-methyl-indole-2-carboxylate

Systemtic Name: 3-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl]-1-methyl-indole-2-carboxylate Openeye Name: 3-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxo-ethyl]-1-methyl-indole-2-carboxylate CAS Name: 3-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]-1-methyl-2-indolecarboxylate IUPAC Name: 3-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]-1-methylindole-2-carboxylate Traditional Name: 3-[2-(homoveratrylamino)-2-keto-ethyl]-1-methyl-indole-2-carboxylate Formula: C22H23N2O5- MolecularWeight: 395.42842

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=C1C(=O)[O-])CC(=O)NCCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CN1C2=CC=CC=C2C(=C1C(=O)[O-])CC(=O)NCCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C22H24N2O5/c1-24-17-7-5-4-6-15(17)16(21(24)22(26)27)13-20(25)23-11-10-14-8-9-18(28-2)19(12-14)29-3/h4-9,12H,10-11,13H2,1-3H3,(H,23,25)(H,26,27)/p-1