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

Systemtic Name: 2-[3-(4-azanylbutyl)-2-(3-phenoxyphenyl)-1H-indol-5-yl]ethanoic acid Openeye Name: 2-[3-(4-aminobutyl)-2-(3-phenoxyphenyl)-1H-indol-5-yl]acetic acid CAS Name: 2-[3-(4-aminobutyl)-2-(3-phenoxyphenyl)-1H-indol-5-yl]acetic acid IUPAC Name: 2-[3-(4-aminobutyl)-2-(3-phenoxyphenyl)-1H-indol-5-yl]acetic acid Traditional Name: 2-[3-(4-aminobutyl)-2-(3-phenoxyphenyl)-1H-indol-5-yl]acetic acid Formula: C26H26N2O3 MolecularWeight: 414.49624

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=CC(=C2)C3=C(C4=C(N3)C=CC(=C4)CC(=O)O)CCCCN

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=CC(=C2)C3=C(C4=C(N3)C=CC(=C4)CC(=O)O)CCCCN

InChI

InChI=1S/C26H26N2O3/c27-14-5-4-11-22-23-15-18(16-25(29)30)12-13-24(23)28-26(22)19-7-6-10-21(17-19)31-20-8-2-1-3-9-20/h1-3,6-10,12-13,15,17,28H,4-5,11,14,16,27H2,(H,29,30)