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

Systemtic Name: 3-(4-azanylbutyl)-2-(3-methoxyphenyl)-7-methyl-1H-indole-4-carboxylic acid Openeye Name: 3-(4-aminobutyl)-2-(3-methoxyphenyl)-7-methyl-1H-indole-4-carboxylic acid CAS Name: 3-(4-aminobutyl)-2-(3-methoxyphenyl)-7-methyl-1H-indole-4-carboxylic acid IUPAC Name: 3-(4-aminobutyl)-2-(3-methoxyphenyl)-7-methyl-1H-indole-4-carboxylic acid Traditional Name: 3-(4-aminobutyl)-2-(3-methoxyphenyl)-7-methyl-1H-indole-4-carboxylic acid Formula: C21H24N2O3 MolecularWeight: 352.42686

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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)OC)CCCCN

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O3/c1-13-9-10-17(21(24)25)18-16(8-3-4-11-22)20(23-19(13)18)14-6-5-7-15(12-14)26-2/h5-7,9-10,12,23H,3-4,8,11,22H2,1-2H3,(H,24,25)