4-[3-[3-methoxy-4-(5-phenylpentoxy)phenyl]propanoylamino]phthalic acid

Systemtic Name: 4-[3-[3-methoxy-4-(5-phenylpentoxy)phenyl]propanoylamino]phthalic acid Openeye Name: 4-[3-[3-methoxy-4-(5-phenylpentoxy)phenyl]propanoylamino]phthalic acid CAS Name: 4-[[3-[3-methoxy-4-(5-phenylpentoxy)phenyl]-1-oxopropyl]amino]phthalic acid IUPAC Name: 4-[3-[3-methoxy-4-(5-phenylpentoxy)phenyl]propanoylamino]phthalic acid Traditional Name: 4-[3-[3-methoxy-4-(5-phenylpentoxy)phenyl]propanoylamino]phthalic acid Formula: C29H31NO7 MolecularWeight: 505.55894

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CCC(=O)NC2=CC(=C(C=C2)C(=O)O)C(=O)O)OCCCCCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=CC(=C1)CCC(=O)NC2=CC(=C(C=C2)C(=O)O)C(=O)O)OCCCCCC3=CC=CC=C3

InChI

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