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

Systemtic Name: 2-[5-butan-2-yl-2-(3-ethoxy-4-phenylmethoxy-phenyl)-1H-indol-3-yl]ethanoic acid Openeye Name: 2-[2-(4-benzyloxy-3-ethoxy-phenyl)-5-sec-butyl-1H-indol-3-yl]acetic acid CAS Name: 2-[5-butan-2-yl-2-(3-ethoxy-4-phenylmethoxyphenyl)-1H-indol-3-yl]acetic acid IUPAC Name: 2-[5-butan-2-yl-2-(3-ethoxy-4-phenylmethoxyphenyl)-1H-indol-3-yl]acetic acid Traditional Name: 2-[2-(4-benzoxy-3-ethoxy-phenyl)-5-sec-butyl-1H-indol-3-yl]acetic acid Formula: C29H31NO4 MolecularWeight: 457.56074

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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)OCC

Isomeric SMILES

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

InChI

InChI=1S/C29H31NO4/c1-4-19(3)21-11-13-25-23(15-21)24(17-28(31)32)29(30-25)22-12-14-26(27(16-22)33-5-2)34-18-20-9-7-6-8-10-20/h6-16,19,30H,4-5,17-18H2,1-3H3,(H,31,32)