3-(4-azanylbutyl)-2-(2,6-dimethoxyphenyl)-7-methyl-1H-indole-4-carboxylic acid

Systemtic Name: 3-(4-azanylbutyl)-2-(2,6-dimethoxyphenyl)-7-methyl-1H-indole-4-carboxylic acid Openeye Name: 3-(4-aminobutyl)-2-(2,6-dimethoxyphenyl)-7-methyl-1H-indole-4-carboxylic acid CAS Name: 3-(4-aminobutyl)-2-(2,6-dimethoxyphenyl)-7-methyl-1H-indole-4-carboxylic acid IUPAC Name: 3-(4-aminobutyl)-2-(2,6-dimethoxyphenyl)-7-methyl-1H-indole-4-carboxylic acid Traditional Name: 3-(4-aminobutyl)-2-(2,6-dimethoxyphenyl)-7-methyl-1H-indole-4-carboxylic acid Formula: C22H26N2O4 MolecularWeight: 382.45284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)C(=O)O)C(=C(N2)C3=C(C=CC=C3OC)OC)CCCCN

Isomeric SMILES

CC1=C2C(=C(C=C1)C(=O)O)C(=C(N2)C3=C(C=CC=C3OC)OC)CCCCN

InChI

InChI=1S/C22H26N2O4/c1-13-10-11-15(22(25)26)18-14(7-4-5-12-23)21(24-20(13)18)19-16(27-2)8-6-9-17(19)28-3/h6,8-11,24H,4-5,7,12,23H2,1-3H3,(H,25,26)