(E)-9-[2,6-bis(2,2-dimethylpropanoylamino)pyrimidin-4-yl]-3-quinolin-3-yl-non-4-enoic acid

Systemtic Name: (E)-9-[2,6-bis(2,2-dimethylpropanoylamino)pyrimidin-4-yl]-3-quinolin-3-yl-non-4-enoic acid Openeye Name: (E)-9-[2,6-bis(2,2-dimethylpropanoylamino)pyrimidin-4-yl]-3-(3-quinolyl)non-4-enoic acid CAS Name: (E)-9-[2,6-bis[(2,2-dimethyl-1-oxopropyl)amino]-4-pyrimidinyl]-3-(3-quinolinyl)-4-nonenoic acid IUPAC Name: (E)-9-[2,6-bis(2,2-dimethylpropanoylamino)pyrimidin-4-yl]-3-quinolin-3-ylnon-4-enoic acid Traditional Name: (E)-9-[2,6-bis(pivaloylamino)pyrimidin-4-yl]-3-(3-quinolyl)non-4-enoic acid Formula: C32H41N5O4 MolecularWeight: 559.69904

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)NC1=NC(=NC(=C1)CCCCC=CC(CC(=O)O)C2=CC3=CC=CC=C3N=C2)NC(=O)C(C)(C)C

Isomeric SMILES

CC(C)(C)C(=O)NC1=NC(=NC(=C1)CCCC/C=C/C(CC(=O)O)C2=CC3=CC=CC=C3N=C2)NC(=O)C(C)(C)C

InChI

InChI=1S/C32H41N5O4/c1-31(2,3)28(40)35-26-19-24(34-30(36-26)37-29(41)32(4,5)6)15-10-8-7-9-13-21(18-27(38)39)23-17-22-14-11-12-16-25(22)33-20-23/h9,11-14,16-17,19-21H,7-8,10,15,18H2,1-6H3,(H,38,39)(H2,34,35,36,37,40,41)/b13-9+