3-(4-azanylbutyl)-2-[3-(dimethylamino)phenyl]-7-methyl-1H-indole-4-carboxylic acid

Systemtic Name: 3-(4-azanylbutyl)-2-[3-(dimethylamino)phenyl]-7-methyl-1H-indole-4-carboxylic acid Openeye Name: 3-(4-aminobutyl)-2-[3-(dimethylamino)phenyl]-7-methyl-1H-indole-4-carboxylic acid CAS Name: 3-(4-aminobutyl)-2-[3-(dimethylamino)phenyl]-7-methyl-1H-indole-4-carboxylic acid IUPAC Name: 3-(4-aminobutyl)-2-[3-(dimethylamino)phenyl]-7-methyl-1H-indole-4-carboxylic acid Traditional Name: 3-(4-aminobutyl)-2-[3-(dimethylamino)phenyl]-7-methyl-1H-indole-4-carboxylic acid Formula: C22H27N3O2 MolecularWeight: 365.46868

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O2/c1-14-10-11-18(22(26)27)19-17(9-4-5-12-23)21(24-20(14)19)15-7-6-8-16(13-15)25(2)3/h6-8,10-11,13,24H,4-5,9,12,23H2,1-3H3,(H,26,27)