5-(4-phenylbutanoylamino)benzene-1,3-dicarboxylic acid

Systemtic Name: 5-(4-phenylbutanoylamino)benzene-1,3-dicarboxylic acid Openeye Name: 5-(4-phenylbutanoylamino)benzene-1,3-dicarboxylic acid CAS Name: 5-[(1-oxo-4-phenylbutyl)amino]benzene-1,3-dicarboxylic acid IUPAC Name: 5-(4-phenylbutanoylamino)benzene-1,3-dicarboxylic acid Traditional Name: 5-(4-phenylbutanoylamino)isophthalic acid Formula: C18H17NO5 MolecularWeight: 327.33128

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCC(=O)NC2=CC(=CC(=C2)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCCC(=O)NC2=CC(=CC(=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C18H17NO5/c20-16(8-4-7-12-5-2-1-3-6-12)19-15-10-13(17(21)22)9-14(11-15)18(23)24/h1-3,5-6,9-11H,4,7-8H2,(H,19,20)(H,21,22)(H,23,24)