2-[3-(4-azanylbutyl)-2-(3,4-diethoxyphenyl)-1H-indol-5-yl]ethanoic acid

Systemtic Name: 2-[3-(4-azanylbutyl)-2-(3,4-diethoxyphenyl)-1H-indol-5-yl]ethanoic acid Openeye Name: 2-[3-(4-aminobutyl)-2-(3,4-diethoxyphenyl)-1H-indol-5-yl]acetic acid CAS Name: 2-[3-(4-aminobutyl)-2-(3,4-diethoxyphenyl)-1H-indol-5-yl]acetic acid IUPAC Name: 2-[3-(4-aminobutyl)-2-(3,4-diethoxyphenyl)-1H-indol-5-yl]acetic acid Traditional Name: 2-[3-(4-aminobutyl)-2-(3,4-diethoxyphenyl)-1H-indol-5-yl]acetic acid Formula: C24H30N2O4 MolecularWeight: 410.506

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30N2O4/c1-3-29-21-11-9-17(15-22(21)30-4-2)24-18(7-5-6-12-25)19-13-16(14-23(27)28)8-10-20(19)26-24/h8-11,13,15,26H,3-7,12,14,25H2,1-2H3,(H,27,28)