4-[[4-[3-tert-butyl-5-[(4-pyridin-4-yloxyphenyl)carbamoylamino]pyrazol-1-yl]phenyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[4-[3-tert-butyl-5-[(4-pyridin-4-yloxyphenyl)carbamoylamino]pyrazol-1-yl]phenyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[4-[3-tert-butyl-5-[[4-(4-pyridyloxy)phenyl]carbamoylamino]pyrazol-1-yl]anilino]-4-oxo-butanoic acid CAS Name: 4-[4-[3-tert-butyl-5-[[oxo-(4-pyridin-4-yloxyanilino)methyl]amino]-1-pyrazolyl]anilino]-4-oxobutanoic acid IUPAC Name: 4-[4-[3-tert-butyl-5-[(4-pyridin-4-yloxyphenyl)carbamoylamino]pyrazol-1-yl]anilino]-4-oxobutanoic acid Traditional Name: 4-[4-[3-tert-butyl-5-[[4-(4-pyridyloxy)phenyl]carbamoylamino]pyrazol-1-yl]anilino]-4-keto-butyric acid Formula: C29H30N6O5 MolecularWeight: 542.5857

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)NC(=O)NC2=CC=C(C=C2)OC3=CC=NC=C3)C4=CC=C(C=C4)NC(=O)CCC(=O)O

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)NC(=O)NC2=CC=C(C=C2)OC3=CC=NC=C3)C4=CC=C(C=C4)NC(=O)CCC(=O)O

InChI

InChI=1S/C29H30N6O5/c1-29(2,3)24-18-25(35(34-24)21-8-4-19(5-9-21)31-26(36)12-13-27(37)38)33-28(39)32-20-6-10-22(11-7-20)40-23-14-16-30-17-15-23/h4-11,14-18H,12-13H2,1-3H3,(H,31,36)(H,37,38)(H2,32,33,39)