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

Systemtic Name: 3-[3-[3-tert-butyl-5-(naphthalen-2-ylcarbonylamino)pyrazol-1-yl]phenyl]propanoic acid Openeye Name: 3-[3-[3-tert-butyl-5-(naphthalene-2-carbonylamino)pyrazol-1-yl]phenyl]propanoic acid CAS Name: 3-[3-[3-tert-butyl-5-[[2-naphthalenyl(oxo)methyl]amino]-1-pyrazolyl]phenyl]propanoic acid IUPAC Name: 3-[3-[3-tert-butyl-5-(naphthalene-2-carbonylamino)pyrazol-1-yl]phenyl]propanoic acid Traditional Name: 3-[3-[3-tert-butyl-5-(2-naphthoylamino)pyrazol-1-yl]phenyl]propionic acid Formula: C27H27N3O3 MolecularWeight: 441.52158

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)NC(=O)C2=CC3=CC=CC=C3C=C2)C4=CC=CC(=C4)CCC(=O)O

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)NC(=O)C2=CC3=CC=CC=C3C=C2)C4=CC=CC(=C4)CCC(=O)O

InChI

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