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

Systemtic Name: 3-[3-[3-tert-butyl-5-(naphthalen-1-ylcarbonylamino)pyrazol-1-yl]phenyl]propanoic acid Openeye Name: 3-[3-[3-tert-butyl-5-(naphthalene-1-carbonylamino)pyrazol-1-yl]phenyl]propanoic acid CAS Name: 3-[3-[3-tert-butyl-5-[[1-naphthalenyl(oxo)methyl]amino]-1-pyrazolyl]phenyl]propanoic acid IUPAC Name: 3-[3-[3-tert-butyl-5-(naphthalene-1-carbonylamino)pyrazol-1-yl]phenyl]propanoic acid Traditional Name: 3-[3-[3-tert-butyl-5-(1-naphthoylamino)pyrazol-1-yl]phenyl]propionic acid Formula: C27H27N3O3 MolecularWeight: 441.52158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)NC(=O)C2=CC=CC3=CC=CC=C32)C4=CC=CC(=C4)CCC(=O)O

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)NC(=O)C2=CC=CC3=CC=CC=C32)C4=CC=CC(=C4)CCC(=O)O

InChI

InChI=1S/C27H27N3O3/c1-27(2,3)23-17-24(28-26(33)22-13-7-10-19-9-4-5-12-21(19)22)30(29-23)20-11-6-8-18(16-20)14-15-25(31)32/h4-13,16-17H,14-15H2,1-3H3,(H,28,33)(H,31,32)