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

Systemtic Name: 3-(4-azanylbutyl)-2-[4-(diethylamino)phenyl]-7-methyl-1H-indole-4-carboxylic acid Openeye Name: 3-(4-aminobutyl)-2-[4-(diethylamino)phenyl]-7-methyl-1H-indole-4-carboxylic acid CAS Name: 3-(4-aminobutyl)-2-[4-(diethylamino)phenyl]-7-methyl-1H-indole-4-carboxylic acid IUPAC Name: 3-(4-aminobutyl)-2-[4-(diethylamino)phenyl]-7-methyl-1H-indole-4-carboxylic acid Traditional Name: 3-(4-aminobutyl)-2-[4-(diethylamino)phenyl]-7-methyl-1H-indole-4-carboxylic acid Formula: C24H31N3O2 MolecularWeight: 393.52184

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31N3O2/c1-4-27(5-2)18-12-10-17(11-13-18)23-19(8-6-7-15-25)21-20(24(28)29)14-9-16(3)22(21)26-23/h9-14,26H,4-8,15,25H2,1-3H3,(H,28,29)