4-oxidanylidene-2-(phenylmethyl)-4-(3-pyrazol-1-ylpropylamino)butanoic acid

Systemtic Name: 4-oxidanylidene-2-(phenylmethyl)-4-(3-pyrazol-1-ylpropylamino)butanoic acid Openeye Name: 2-benzyl-4-oxo-4-(3-pyrazol-1-ylpropylamino)butanoic acid CAS Name: 4-oxo-2-(phenylmethyl)-4-[3-(1-pyrazolyl)propylamino]butanoic acid IUPAC Name: 2-benzyl-4-oxo-4-(3-pyrazol-1-ylpropylamino)butanoic acid Traditional Name: 2-benzyl-4-keto-4-(3-pyrazol-1-ylpropylamino)butyric acid Formula: C17H21N3O3 MolecularWeight: 315.36694

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(CC(=O)NCCCN2C=CC=N2)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC(CC(=O)NCCCN2C=CC=N2)C(=O)O

InChI

InChI=1S/C17H21N3O3/c21-16(18-8-4-10-20-11-5-9-19-20)13-15(17(22)23)12-14-6-2-1-3-7-14/h1-3,5-7,9,11,15H,4,8,10,12-13H2,(H,18,21)(H,22,23)