5-[[2-methyl-1-(naphthalen-2-ylmethyl)-5-phenylmethoxy-indol-3-yl]carbonylamino]benzene-1,3-dicarboxylic acid

Systemtic Name: 5-[[2-methyl-1-(naphthalen-2-ylmethyl)-5-phenylmethoxy-indol-3-yl]carbonylamino]benzene-1,3-dicarboxylic acid Openeye Name: 5-[[5-benzyloxy-2-methyl-1-(2-naphthylmethyl)indole-3-carbonyl]amino]benzene-1,3-dicarboxylic acid CAS Name: 5-[[[2-methyl-1-(2-naphthalenylmethyl)-5-phenylmethoxy-3-indolyl]-oxomethyl]amino]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[[2-methyl-1-(naphthalen-2-ylmethyl)-5-phenylmethoxyindole-3-carbonyl]amino]benzene-1,3-dicarboxylic acid Traditional Name: 5-[[5-benzoxy-2-methyl-1-(2-naphthylmethyl)indole-3-carbonyl]amino]isophthalic acid Formula: C36H28N2O6 MolecularWeight: 584.61732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1CC3=CC4=CC=CC=C4C=C3)C=CC(=C2)OCC5=CC=CC=C5)C(=O)NC6=CC(=CC(=C6)C(=O)O)C(=O)O

Isomeric SMILES

CC1=C(C2=C(N1CC3=CC4=CC=CC=C4C=C3)C=CC(=C2)OCC5=CC=CC=C5)C(=O)NC6=CC(=CC(=C6)C(=O)O)C(=O)O

InChI

InChI=1S/C36H28N2O6/c1-22-33(34(39)37-29-17-27(35(40)41)16-28(18-29)36(42)43)31-19-30(44-21-23-7-3-2-4-8-23)13-14-32(31)38(22)20-24-11-12-25-9-5-6-10-26(25)15-24/h2-19H,20-21H2,1H3,(H,37,39)(H,40,41)(H,42,43)