2-methoxy-5-[3-[4-(5-phenylpentoxy)phenyl]propanoylamino]benzene-1,3-dicarboxylic acid

Systemtic Name: 2-methoxy-5-[3-[4-(5-phenylpentoxy)phenyl]propanoylamino]benzene-1,3-dicarboxylic acid Openeye Name: 2-methoxy-5-[3-[4-(5-phenylpentoxy)phenyl]propanoylamino]benzene-1,3-dicarboxylic acid CAS Name: 2-methoxy-5-[[1-oxo-3-[4-(5-phenylpentoxy)phenyl]propyl]amino]benzene-1,3-dicarboxylic acid IUPAC Name: 2-methoxy-5-[3-[4-(5-phenylpentoxy)phenyl]propanoylamino]benzene-1,3-dicarboxylic acid Traditional Name: 2-methoxy-5-[3-[4-(5-phenylpentoxy)phenyl]propanoylamino]isophthalic acid Formula: C29H31NO7 MolecularWeight: 505.55894

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1C(=O)O)NC(=O)CCC2=CC=C(C=C2)OCCCCCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1C(=O)O)NC(=O)CCC2=CC=C(C=C2)OCCCCCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C29H31NO7/c1-36-27-24(28(32)33)18-22(19-25(27)29(34)35)30-26(31)16-13-21-11-14-23(15-12-21)37-17-7-3-6-10-20-8-4-2-5-9-20/h2,4-5,8-9,11-12,14-15,18-19H,3,6-7,10,13,16-17H2,1H3,(H,30,31)(H,32,33)(H,34,35)