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

Systemtic Name: 2-[3-(4-azanylbutyl)-2-(2-phenoxyphenyl)-1H-indol-5-yl]ethanoic acid Openeye Name: 2-[3-(4-aminobutyl)-2-(2-phenoxyphenyl)-1H-indol-5-yl]acetic acid CAS Name: 2-[3-(4-aminobutyl)-2-(2-phenoxyphenyl)-1H-indol-5-yl]acetic acid IUPAC Name: 2-[3-(4-aminobutyl)-2-(2-phenoxyphenyl)-1H-indol-5-yl]acetic acid Traditional Name: 2-[3-(4-aminobutyl)-2-(2-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=C2C3=C(C4=C(N3)C=CC(=C4)CC(=O)O)CCCCN

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=CC=C2C3=C(C4=C(N3)C=CC(=C4)CC(=O)O)CCCCN

InChI

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