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

Systemtic Name: 5-chloranyl-3-[2-[(4-ethoxyphenyl)-propyl-amino]-2-oxidanylidene-ethyl]-1H-indole-2-carboxylic acid Openeye Name: 5-chloro-3-[2-(4-ethoxy-N-propyl-anilino)-2-oxo-ethyl]-1H-indole-2-carboxylic acid CAS Name: 5-chloro-3-[2-(4-ethoxy-N-propylanilino)-2-oxoethyl]-1H-indole-2-carboxylic acid IUPAC Name: 5-chloro-3-[2-(4-ethoxy-N-propylanilino)-2-oxoethyl]-1H-indole-2-carboxylic acid Traditional Name: 5-chloro-3-[2-(4-ethoxy-N-propyl-anilino)-2-keto-ethyl]-1H-indole-2-carboxylic acid Formula: C22H23ClN2O4 MolecularWeight: 414.88202

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C1=CC=C(C=C1)OCC)C(=O)CC2=C(NC3=C2C=C(C=C3)Cl)C(=O)O

Isomeric SMILES

CCCN(C1=CC=C(C=C1)OCC)C(=O)CC2=C(NC3=C2C=C(C=C3)Cl)C(=O)O

InChI

InChI=1S/C22H23ClN2O4/c1-3-11-25(15-6-8-16(9-7-15)29-4-2)20(26)13-18-17-12-14(23)5-10-19(17)24-21(18)22(27)28/h5-10,12,24H,3-4,11,13H2,1-2H3,(H,27,28)