3-(4-azanylbutyl)-7-chloranyl-2-(4-ethoxyphenyl)-1H-indole-4-carboxylic acid

Systemtic Name: 3-(4-azanylbutyl)-7-chloranyl-2-(4-ethoxyphenyl)-1H-indole-4-carboxylic acid Openeye Name: 3-(4-aminobutyl)-7-chloro-2-(4-ethoxyphenyl)-1H-indole-4-carboxylic acid CAS Name: 3-(4-aminobutyl)-7-chloro-2-(4-ethoxyphenyl)-1H-indole-4-carboxylic acid IUPAC Name: 3-(4-aminobutyl)-7-chloro-2-(4-ethoxyphenyl)-1H-indole-4-carboxylic acid Traditional Name: 3-(4-aminobutyl)-7-chloro-2-p-phenetyl-1H-indole-4-carboxylic acid Formula: C21H23ClN2O3 MolecularWeight: 386.87192

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=C(C3=C(C=CC(=C3N2)Cl)C(=O)O)CCCCN

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=C(C3=C(C=CC(=C3N2)Cl)C(=O)O)CCCCN

InChI

InChI=1S/C21H23ClN2O3/c1-2-27-14-8-6-13(7-9-14)19-15(5-3-4-12-23)18-16(21(25)26)10-11-17(22)20(18)24-19/h6-11,24H,2-5,12,23H2,1H3,(H,25,26)