2-(3-phenylbutanoylamino)terephthalic acid

Systemtic Name: 2-(3-phenylbutanoylamino)terephthalic acid Openeye Name: 2-(3-phenylbutanoylamino)terephthalic acid CAS Name: 2-[(1-oxo-3-phenylbutyl)amino]terephthalic acid IUPAC Name: 2-(3-phenylbutanoylamino)terephthalic acid Traditional Name: 2-(3-phenylbutanoylamino)terephthalic acid Formula: C18H17NO5 MolecularWeight: 327.33128

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)NC1=C(C=CC(=C1)C(=O)O)C(=O)O)C2=CC=CC=C2

Isomeric SMILES

CC(CC(=O)NC1=C(C=CC(=C1)C(=O)O)C(=O)O)C2=CC=CC=C2

InChI

InChI=1S/C18H17NO5/c1-11(12-5-3-2-4-6-12)9-16(20)19-15-10-13(17(21)22)7-8-14(15)18(23)24/h2-8,10-11H,9H2,1H3,(H,19,20)(H,21,22)(H,23,24)