3-[2-[(4-ethoxyphenyl)-ethyl-amino]-2-oxidanylidene-ethyl]-1H-indole-2-carboxylic acid

Systemtic Name: 3-[2-[(4-ethoxyphenyl)-ethyl-amino]-2-oxidanylidene-ethyl]-1H-indole-2-carboxylic acid Openeye Name: 3-[2-(4-ethoxy-N-ethyl-anilino)-2-oxo-ethyl]-1H-indole-2-carboxylic acid CAS Name: 3-[2-(4-ethoxy-N-ethylanilino)-2-oxoethyl]-1H-indole-2-carboxylic acid IUPAC Name: 3-[2-(4-ethoxy-N-ethylanilino)-2-oxoethyl]-1H-indole-2-carboxylic acid Traditional Name: 3-[2-(4-ethoxy-N-ethyl-anilino)-2-keto-ethyl]-1H-indole-2-carboxylic acid Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=C(C=C1)OCC)C(=O)CC2=C(NC3=CC=CC=C32)C(=O)O

Isomeric SMILES

CCN(C1=CC=C(C=C1)OCC)C(=O)CC2=C(NC3=CC=CC=C32)C(=O)O

InChI

InChI=1S/C21H22N2O4/c1-3-23(14-9-11-15(12-10-14)27-4-2)19(24)13-17-16-7-5-6-8-18(16)22-20(17)21(25)26/h5-12,22H,3-4,13H2,1-2H3,(H,25,26)