4-[[(4S)-1-(3,4-dimethylphenyl)-3-methyl-5-oxidanylidene-4H-pyrazol-4-yl]methylideneamino]butanoic acid

Systemtic Name: 4-[[(4S)-1-(3,4-dimethylphenyl)-3-methyl-5-oxidanylidene-4H-pyrazol-4-yl]methylideneamino]butanoic acid Openeye Name: 4-[[(4S)-1-(3,4-dimethylphenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]methyleneamino]butanoic acid CAS Name: 4-[[(4S)-1-(3,4-dimethylphenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]methylideneamino]butanoic acid IUPAC Name: 4-[[(4S)-1-(3,4-dimethylphenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]methylideneamino]butanoic acid Traditional Name: 4-[[(4S)-1-(3,4-dimethylphenyl)-5-keto-3-methyl-2-pyrazolin-4-yl]methyleneamino]butyric acid Formula: C17H21N3O3 MolecularWeight: 315.36694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)C(C(=N2)C)C=NCCCC(=O)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)[C@H](C(=N2)C)C=NCCCC(=O)O)C

InChI

InChI=1S/C17H21N3O3/c1-11-6-7-14(9-12(11)2)20-17(23)15(13(3)19-20)10-18-8-4-5-16(21)22/h6-7,9-10,15H,4-5,8H2,1-3H3,(H,21,22)/t15-/m0/s1