2-[(4-butoxyphenyl)methoxy]-2-[3-(1H-indol-5-yl)phenyl]propanoic acid

Systemtic Name: 2-[(4-butoxyphenyl)methoxy]-2-[3-(1H-indol-5-yl)phenyl]propanoic acid Openeye Name: 2-[(4-butoxyphenyl)methoxy]-2-[3-(1H-indol-5-yl)phenyl]propanoic acid CAS Name: 2-[(4-butoxyphenyl)methoxy]-2-[3-(1H-indol-5-yl)phenyl]propanoic acid IUPAC Name: 2-[(4-butoxyphenyl)methoxy]-2-[3-(1H-indol-5-yl)phenyl]propanoic acid Traditional Name: 2-(4-butoxybenzyl)oxy-2-[3-(1H-indol-5-yl)phenyl]propionic acid Formula: C28H29NO4 MolecularWeight: 443.53416

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)COC(C)(C2=CC=CC(=C2)C3=CC4=C(C=C3)NC=C4)C(=O)O

Isomeric SMILES

CCCCOC1=CC=C(C=C1)COC(C)(C2=CC=CC(=C2)C3=CC4=C(C=C3)NC=C4)C(=O)O

InChI

InChI=1S/C28H29NO4/c1-3-4-16-32-25-11-8-20(9-12-25)19-33-28(2,27(30)31)24-7-5-6-21(18-24)22-10-13-26-23(17-22)14-15-29-26/h5-15,17-18,29H,3-4,16,19H2,1-2H3,(H,30,31)