2-[5-butan-2-yl-2-(4-phenylmethoxyphenyl)-1H-indol-3-yl]ethanoic acid

Systemtic Name: 2-[5-butan-2-yl-2-(4-phenylmethoxyphenyl)-1H-indol-3-yl]ethanoic acid Openeye Name: 2-[2-(4-benzyloxyphenyl)-5-sec-butyl-1H-indol-3-yl]acetic acid CAS Name: 2-[5-butan-2-yl-2-(4-phenylmethoxyphenyl)-1H-indol-3-yl]acetic acid IUPAC Name: 2-[5-butan-2-yl-2-(4-phenylmethoxyphenyl)-1H-indol-3-yl]acetic acid Traditional Name: 2-[2-(4-benzoxyphenyl)-5-sec-butyl-1H-indol-3-yl]acetic acid Formula: C27H27NO3 MolecularWeight: 413.50818

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H27NO3/c1-3-18(2)21-11-14-25-23(15-21)24(16-26(29)30)27(28-25)20-9-12-22(13-10-20)31-17-19-7-5-4-6-8-19/h4-15,18,28H,3,16-17H2,1-2H3,(H,29,30)