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

Systemtic Name: 3-[3-[3-tert-butyl-5-(naphthalen-1-ylcarbamoylamino)pyrazol-1-yl]phenyl]propanoic acid Openeye Name: 3-[3-[3-tert-butyl-5-(1-naphthylcarbamoylamino)pyrazol-1-yl]phenyl]propanoic acid CAS Name: 3-[3-[3-tert-butyl-5-[[(1-naphthalenylamino)-oxomethyl]amino]-1-pyrazolyl]phenyl]propanoic acid IUPAC Name: 3-[3-[3-tert-butyl-5-(naphthalen-1-ylcarbamoylamino)pyrazol-1-yl]phenyl]propanoic acid Traditional Name: 3-[3-[3-tert-butyl-5-(1-naphthylcarbamoylamino)pyrazol-1-yl]phenyl]propionic acid Formula: C27H28N4O3 MolecularWeight: 456.53622

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)NC(=O)NC2=CC=CC3=CC=CC=C32)C4=CC=CC(=C4)CCC(=O)O

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)NC(=O)NC2=CC=CC3=CC=CC=C32)C4=CC=CC(=C4)CCC(=O)O

InChI

InChI=1S/C27H28N4O3/c1-27(2,3)23-17-24(31(30-23)20-11-6-8-18(16-20)14-15-25(32)33)29-26(34)28-22-13-7-10-19-9-4-5-12-21(19)22/h4-13,16-17H,14-15H2,1-3H3,(H,32,33)(H2,28,29,34)