2-[3-(2-methylpropanoyl)-2-(naphthalen-2-ylsulfanylmethyl)-5-phenylmethoxy-indol-1-yl]ethanoic acid

Systemtic Name: 2-[3-(2-methylpropanoyl)-2-(naphthalen-2-ylsulfanylmethyl)-5-phenylmethoxy-indol-1-yl]ethanoic acid Openeye Name: 2-[5-benzyloxy-3-(2-methylpropanoyl)-2-(2-naphthylsulfanylmethyl)indol-1-yl]acetic acid CAS Name: 2-[3-(2-methyl-1-oxopropyl)-2-[(2-naphthalenylthio)methyl]-5-phenylmethoxy-1-indolyl]acetic acid IUPAC Name: 2-[3-(2-methylpropanoyl)-2-(naphthalen-2-ylsulfanylmethyl)-5-phenylmethoxyindol-1-yl]acetic acid Traditional Name: 2-[5-benzoxy-3-isobutyryl-2-[(2-naphthylthio)methyl]indol-1-yl]acetic acid Formula: C32H29NO4S MolecularWeight: 523.64196

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)C1=C(N(C2=C1C=C(C=C2)OCC3=CC=CC=C3)CC(=O)O)CSC4=CC5=CC=CC=C5C=C4

Isomeric SMILES

CC(C)C(=O)C1=C(N(C2=C1C=C(C=C2)OCC3=CC=CC=C3)CC(=O)O)CSC4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C32H29NO4S/c1-21(2)32(36)31-27-17-25(37-19-22-8-4-3-5-9-22)13-15-28(27)33(18-30(34)35)29(31)20-38-26-14-12-23-10-6-7-11-24(23)16-26/h3-17,21H,18-20H2,1-2H3,(H,34,35)