2-[5-butyl-2-(3,5-dimethoxy-4-phenylmethoxy-phenyl)-1H-indol-3-yl]ethanoic acid

Systemtic Name: 2-[5-butyl-2-(3,5-dimethoxy-4-phenylmethoxy-phenyl)-1H-indol-3-yl]ethanoic acid Openeye Name: 2-[2-(4-benzyloxy-3,5-dimethoxy-phenyl)-5-butyl-1H-indol-3-yl]acetic acid CAS Name: 2-[5-butyl-2-(3,5-dimethoxy-4-phenylmethoxyphenyl)-1H-indol-3-yl]acetic acid IUPAC Name: 2-[5-butyl-2-(3,5-dimethoxy-4-phenylmethoxyphenyl)-1H-indol-3-yl]acetic acid Traditional Name: 2-[2-(4-benzoxy-3,5-dimethoxy-phenyl)-5-butyl-1H-indol-3-yl]acetic acid Formula: C29H31NO5 MolecularWeight: 473.56014

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)NC(=C2CC(=O)O)C3=CC(=C(C(=C3)OC)OCC4=CC=CC=C4)OC

Isomeric SMILES

CCCCC1=CC2=C(C=C1)NC(=C2CC(=O)O)C3=CC(=C(C(=C3)OC)OCC4=CC=CC=C4)OC

InChI

InChI=1S/C29H31NO5/c1-4-5-9-19-12-13-24-22(14-19)23(17-27(31)32)28(30-24)21-15-25(33-2)29(26(16-21)34-3)35-18-20-10-7-6-8-11-20/h6-8,10-16,30H,4-5,9,17-18H2,1-3H3,(H,31,32)