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

Systemtic Name: 3-(4-azanylbutyl)-2-(4-ethoxyphenyl)-7-methyl-1H-indole-4-carboxylic acid Openeye Name: 3-(4-aminobutyl)-2-(4-ethoxyphenyl)-7-methyl-1H-indole-4-carboxylic acid CAS Name: 3-(4-aminobutyl)-2-(4-ethoxyphenyl)-7-methyl-1H-indole-4-carboxylic acid IUPAC Name: 3-(4-aminobutyl)-2-(4-ethoxyphenyl)-7-methyl-1H-indole-4-carboxylic acid Traditional Name: 3-(4-aminobutyl)-7-methyl-2-p-phenetyl-1H-indole-4-carboxylic acid Formula: C22H26N2O3 MolecularWeight: 366.45344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O3/c1-3-27-16-10-8-15(9-11-16)21-17(6-4-5-13-23)19-18(22(25)26)12-7-14(2)20(19)24-21/h7-12,24H,3-6,13,23H2,1-2H3,(H,25,26)