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

Systemtic Name: 2-[3-(4-azanylbutyl)-2-(4-ethoxyphenyl)-1H-indol-5-yl]ethanoic acid Openeye Name: 2-[3-(4-aminobutyl)-2-(4-ethoxyphenyl)-1H-indol-5-yl]acetic acid CAS Name: 2-[3-(4-aminobutyl)-2-(4-ethoxyphenyl)-1H-indol-5-yl]acetic acid IUPAC Name: 2-[3-(4-aminobutyl)-2-(4-ethoxyphenyl)-1H-indol-5-yl]acetic acid Traditional Name: 2-[3-(4-aminobutyl)-2-p-phenetyl-1H-indol-5-yl]acetic acid Formula: C22H26N2O3 MolecularWeight: 366.45344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O3/c1-2-27-17-9-7-16(8-10-17)22-18(5-3-4-12-23)19-13-15(14-21(25)26)6-11-20(19)24-22/h6-11,13,24H,2-5,12,14,23H2,1H3,(H,25,26)