2-[3-[5-tert-butyl-5-(naphthalen-1-ylcarbamoylamino)-1H-pyrazol-2-yl]phenyl]propanoic acid

Systemtic Name: 2-[3-[5-tert-butyl-5-(naphthalen-1-ylcarbamoylamino)-1H-pyrazol-2-yl]phenyl]propanoic acid Openeye Name: 2-[3-[5-tert-butyl-5-(1-naphthylcarbamoylamino)-1H-pyrazol-2-yl]phenyl]propanoic acid CAS Name: 2-[3-[5-tert-butyl-5-[[(1-naphthalenylamino)-oxomethyl]amino]-1H-pyrazol-2-yl]phenyl]propanoic acid IUPAC Name: 2-[3-[5-tert-butyl-5-(naphthalen-1-ylcarbamoylamino)-1H-pyrazol-2-yl]phenyl]propanoic acid Traditional Name: 2-[3-[3-tert-butyl-3-(1-naphthylcarbamoylamino)-3-pyrazolin-1-yl]phenyl]propionic acid Formula: C27H30N4O3 MolecularWeight: 458.5521

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)N2C=CC(N2)(C(C)(C)C)NC(=O)NC3=CC=CC4=CC=CC=C43)C(=O)O

Isomeric SMILES

CC(C1=CC(=CC=C1)N2C=CC(N2)(C(C)(C)C)NC(=O)NC3=CC=CC4=CC=CC=C43)C(=O)O

InChI

InChI=1S/C27H30N4O3/c1-18(24(32)33)20-11-7-12-21(17-20)31-16-15-27(30-31,26(2,3)4)29-25(34)28-23-14-8-10-19-9-5-6-13-22(19)23/h5-18,30H,1-4H3,(H,32,33)(H2,28,29,34)