3-[4-[3-tert-butyl-5-(naphthalen-1-ylcarbamoylamino)pyrazol-1-yl]phenyl]propanoic acid

Systemtic Name: 3-[4-[3-tert-butyl-5-(naphthalen-1-ylcarbamoylamino)pyrazol-1-yl]phenyl]propanoic acid Openeye Name: 3-[4-[3-tert-butyl-5-(1-naphthylcarbamoylamino)pyrazol-1-yl]phenyl]propanoic acid CAS Name: 3-[4-[3-tert-butyl-5-[[(1-naphthalenylamino)-oxomethyl]amino]-1-pyrazolyl]phenyl]propanoic acid IUPAC Name: 3-[4-[3-tert-butyl-5-(naphthalen-1-ylcarbamoylamino)pyrazol-1-yl]phenyl]propanoic acid Traditional Name: 3-[4-[3-tert-butyl-5-(1-naphthylcarbamoylamino)pyrazol-1-yl]phenyl]propionic acid Formula: C27H28N4O3 MolecularWeight: 456.53622

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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