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

Systemtic Name: 3-(4-azanylbutyl)-2-(4-butoxyphenyl)-7-methyl-1H-indole-4-carboxylic acid Openeye Name: 3-(4-aminobutyl)-2-(4-butoxyphenyl)-7-methyl-1H-indole-4-carboxylic acid CAS Name: 3-(4-aminobutyl)-2-(4-butoxyphenyl)-7-methyl-1H-indole-4-carboxylic acid IUPAC Name: 3-(4-aminobutyl)-2-(4-butoxyphenyl)-7-methyl-1H-indole-4-carboxylic acid Traditional Name: 3-(4-aminobutyl)-2-(4-butoxyphenyl)-7-methyl-1H-indole-4-carboxylic acid Formula: C24H30N2O3 MolecularWeight: 394.5066

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2=C(C3=C(C=CC(=C3N2)C)C(=O)O)CCCCN

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2=C(C3=C(C=CC(=C3N2)C)C(=O)O)CCCCN

InChI

InChI=1S/C24H30N2O3/c1-3-4-15-29-18-11-9-17(10-12-18)23-19(7-5-6-14-25)21-20(24(27)28)13-8-16(2)22(21)26-23/h8-13,26H,3-7,14-15,25H2,1-2H3,(H,27,28)