2-[5-butoxy-2-(3-methoxy-4-phenylmethoxy-phenyl)-1H-indol-3-yl]ethanoic acid

Systemtic Name: 2-[5-butoxy-2-(3-methoxy-4-phenylmethoxy-phenyl)-1H-indol-3-yl]ethanoic acid Openeye Name: 2-[2-(4-benzyloxy-3-methoxy-phenyl)-5-butoxy-1H-indol-3-yl]acetic acid CAS Name: 2-[5-butoxy-2-(3-methoxy-4-phenylmethoxyphenyl)-1H-indol-3-yl]acetic acid IUPAC Name: 2-[5-butoxy-2-(3-methoxy-4-phenylmethoxyphenyl)-1H-indol-3-yl]acetic acid Traditional Name: 2-[2-(4-benzoxy-3-methoxy-phenyl)-5-butoxy-1H-indol-3-yl]acetic acid Formula: C28H29NO5 MolecularWeight: 459.53356

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC2=C(C=C1)NC(=C2CC(=O)O)C3=CC(=C(C=C3)OCC4=CC=CC=C4)OC

Isomeric SMILES

CCCCOC1=CC2=C(C=C1)NC(=C2CC(=O)O)C3=CC(=C(C=C3)OCC4=CC=CC=C4)OC

InChI

InChI=1S/C28H29NO5/c1-3-4-14-33-21-11-12-24-22(16-21)23(17-27(30)31)28(29-24)20-10-13-25(26(15-20)32-2)34-18-19-8-6-5-7-9-19/h5-13,15-16,29H,3-4,14,17-18H2,1-2H3,(H,30,31)