5-[[3,5-dimethyl-1-(naphthalen-1-ylmethyl)pyrazol-4-yl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[[3,5-dimethyl-1-(naphthalen-1-ylmethyl)pyrazol-4-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[[3,5-dimethyl-1-(1-naphthylmethyl)pyrazol-4-yl]amino]-5-oxo-pentanoic acid CAS Name: 5-[[3,5-dimethyl-1-(1-naphthalenylmethyl)-4-pyrazolyl]amino]-5-oxopentanoic acid IUPAC Name: 5-[[3,5-dimethyl-1-(naphthalen-1-ylmethyl)pyrazol-4-yl]amino]-5-oxopentanoic acid Traditional Name: 5-[[3,5-dimethyl-1-(1-naphthylmethyl)pyrazol-4-yl]amino]-5-keto-valeric acid Formula: C21H23N3O3 MolecularWeight: 365.42562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC3=CC=CC=C32)C)NC(=O)CCCC(=O)O

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC3=CC=CC=C32)C)NC(=O)CCCC(=O)O

InChI

InChI=1S/C21H23N3O3/c1-14-21(22-19(25)11-6-12-20(26)27)15(2)24(23-14)13-17-9-5-8-16-7-3-4-10-18(16)17/h3-5,7-10H,6,11-13H2,1-2H3,(H,22,25)(H,26,27)