3-(4-azanylbutyl)-2-(3,4-diethoxyphenyl)-1H-indole-5-carboxylic acid

Systemtic Name: 3-(4-azanylbutyl)-2-(3,4-diethoxyphenyl)-1H-indole-5-carboxylic acid Openeye Name: 3-(4-aminobutyl)-2-(3,4-diethoxyphenyl)-1H-indole-5-carboxylic acid CAS Name: 3-(4-aminobutyl)-2-(3,4-diethoxyphenyl)-1H-indole-5-carboxylic acid IUPAC Name: 3-(4-aminobutyl)-2-(3,4-diethoxyphenyl)-1H-indole-5-carboxylic acid Traditional Name: 3-(4-aminobutyl)-2-(3,4-diethoxyphenyl)-1H-indole-5-carboxylic acid Formula: C23H28N2O4 MolecularWeight: 396.47942

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2=C(C3=C(N2)C=CC(=C3)C(=O)O)CCCCN)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2=C(C3=C(N2)C=CC(=C3)C(=O)O)CCCCN)OCC

InChI

InChI=1S/C23H28N2O4/c1-3-28-20-11-9-15(14-21(20)29-4-2)22-17(7-5-6-12-24)18-13-16(23(26)27)8-10-19(18)25-22/h8-11,13-14,25H,3-7,12,24H2,1-2H3,(H,26,27)