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

Systemtic Name: 5-[[5-phenylmethoxy-1-(phenylmethyl)indol-2-yl]carbonylamino]benzene-1,3-dicarboxylic acid Openeye Name: 5-[(1-benzyl-5-benzyloxy-indole-2-carbonyl)amino]benzene-1,3-dicarboxylic acid CAS Name: 5-[[oxo-[5-phenylmethoxy-1-(phenylmethyl)-2-indolyl]methyl]amino]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[(1-benzyl-5-phenylmethoxyindole-2-carbonyl)amino]benzene-1,3-dicarboxylic acid Traditional Name: 5-[(5-benzoxy-1-benzyl-indole-2-carbonyl)amino]isophthalic acid Formula: C31H24N2O6 MolecularWeight: 520.53206

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=C(C=C(C=C3)OCC4=CC=CC=C4)C=C2C(=O)NC5=CC(=CC(=C5)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=C(C=C(C=C3)OCC4=CC=CC=C4)C=C2C(=O)NC5=CC(=CC(=C5)C(=O)O)C(=O)O

InChI

InChI=1S/C31H24N2O6/c34-29(32-25-14-23(30(35)36)13-24(15-25)31(37)38)28-17-22-16-26(39-19-21-9-5-2-6-10-21)11-12-27(22)33(28)18-20-7-3-1-4-8-20/h1-17H,18-19H2,(H,32,34)(H,35,36)(H,37,38)