3-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl]-1-ethyl-indole-2-carboxylic acid

Systemtic Name: 3-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl]-1-ethyl-indole-2-carboxylic acid Openeye Name: 3-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxo-ethyl]-1-ethyl-indole-2-carboxylic acid CAS Name: 3-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]-1-ethyl-2-indolecarboxylic acid IUPAC Name: 3-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]-1-ethylindole-2-carboxylic acid Traditional Name: 1-ethyl-3-[2-(homoveratrylamino)-2-keto-ethyl]indole-2-carboxylic acid Formula: C23H26N2O5 MolecularWeight: 410.46294

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2C(=C1C(=O)O)CC(=O)NCCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCN1C2=CC=CC=C2C(=C1C(=O)O)CC(=O)NCCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C23H26N2O5/c1-4-25-18-8-6-5-7-16(18)17(22(25)23(27)28)14-21(26)24-12-11-15-9-10-19(29-2)20(13-15)30-3/h5-10,13H,4,11-12,14H2,1-3H3,(H,24,26)(H,27,28)