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

Systemtic Name: 3-(4-azanylbutyl)-2-(4-butoxyphenyl)-7-chloranyl-1H-indole-4-carboxylic acid Openeye Name: 3-(4-aminobutyl)-2-(4-butoxyphenyl)-7-chloro-1H-indole-4-carboxylic acid CAS Name: 3-(4-aminobutyl)-2-(4-butoxyphenyl)-7-chloro-1H-indole-4-carboxylic acid IUPAC Name: 3-(4-aminobutyl)-2-(4-butoxyphenyl)-7-chloro-1H-indole-4-carboxylic acid Traditional Name: 3-(4-aminobutyl)-2-(4-butoxyphenyl)-7-chloro-1H-indole-4-carboxylic acid Formula: C23H27ClN2O3 MolecularWeight: 414.92508

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2=C(C3=C(C=CC(=C3N2)Cl)C(=O)O)CCCCN

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2=C(C3=C(C=CC(=C3N2)Cl)C(=O)O)CCCCN

InChI

InChI=1S/C23H27ClN2O3/c1-2-3-14-29-16-9-7-15(8-10-16)21-17(6-4-5-13-25)20-18(23(27)28)11-12-19(24)22(20)26-21/h7-12,26H,2-6,13-14,25H2,1H3,(H,27,28)