2-(4-phenylbutanoylamino)hexanedioic acid

Systemtic Name: 2-(4-phenylbutanoylamino)hexanedioic acid Openeye Name: 2-(4-phenylbutanoylamino)hexanedioic acid CAS Name: 2-[(1-oxo-4-phenylbutyl)amino]hexanedioic acid IUPAC Name: 2-(4-phenylbutanoylamino)hexanedioic acid Traditional Name: 2-(4-phenylbutanoylamino)adipic acid Formula: C16H21NO5 MolecularWeight: 307.34164

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCC(=O)NC(CCCC(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCCC(=O)NC(CCCC(=O)O)C(=O)O

InChI

InChI=1S/C16H21NO5/c18-14(10-4-8-12-6-2-1-3-7-12)17-13(16(21)22)9-5-11-15(19)20/h1-3,6-7,13H,4-5,8-11H2,(H,17,18)(H,19,20)(H,21,22)