4-[3-[2-methyl-4-(5-phenylpentoxy)phenyl]propanoylamino]phthalic acid

Systemtic Name: 4-[3-[2-methyl-4-(5-phenylpentoxy)phenyl]propanoylamino]phthalic acid Openeye Name: 4-[3-[2-methyl-4-(5-phenylpentoxy)phenyl]propanoylamino]phthalic acid CAS Name: 4-[[3-[2-methyl-4-(5-phenylpentoxy)phenyl]-1-oxopropyl]amino]phthalic acid IUPAC Name: 4-[3-[2-methyl-4-(5-phenylpentoxy)phenyl]propanoylamino]phthalic acid Traditional Name: 4-[3-[2-methyl-4-(5-phenylpentoxy)phenyl]propanoylamino]phthalic acid Formula: C29H31NO6 MolecularWeight: 489.55954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCCCCCC2=CC=CC=C2)CCC(=O)NC3=CC(=C(C=C3)C(=O)O)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)OCCCCCC2=CC=CC=C2)CCC(=O)NC3=CC(=C(C=C3)C(=O)O)C(=O)O

InChI

InChI=1S/C29H31NO6/c1-20-18-24(36-17-7-3-6-10-21-8-4-2-5-9-21)14-11-22(20)12-16-27(31)30-23-13-15-25(28(32)33)26(19-23)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)