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

Systemtic Name: 2-[[3-[3-tert-butyl-5-(naphthalen-1-ylcarbamoylamino)pyrazol-1-yl]phenyl]amino]ethanoic acid Openeye Name: 2-[3-[3-tert-butyl-5-(1-naphthylcarbamoylamino)pyrazol-1-yl]anilino]acetic acid CAS Name: 2-[3-[3-tert-butyl-5-[[(1-naphthalenylamino)-oxomethyl]amino]-1-pyrazolyl]anilino]acetic acid IUPAC Name: 2-[3-[3-tert-butyl-5-(naphthalen-1-ylcarbamoylamino)pyrazol-1-yl]anilino]acetic acid Traditional Name: 2-[3-[3-tert-butyl-5-(1-naphthylcarbamoylamino)pyrazol-1-yl]anilino]acetic acid Formula: C26H27N5O3 MolecularWeight: 457.52428

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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)NCC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C26H27N5O3/c1-26(2,3)22-15-23(31(30-22)19-11-7-10-18(14-19)27-16-24(32)33)29-25(34)28-21-13-6-9-17-8-4-5-12-20(17)21/h4-15,27H,16H2,1-3H3,(H,32,33)(H2,28,29,34)