9-[6-[bis(2,2-dimethylpropanoyl)amino]pyrimidin-4-yl]-3-quinolin-3-yl-nonanoic acid

Systemtic Name: 9-[6-[bis(2,2-dimethylpropanoyl)amino]pyrimidin-4-yl]-3-quinolin-3-yl-nonanoic acid Openeye Name: 9-[6-[bis(2,2-dimethylpropanoyl)amino]pyrimidin-4-yl]-3-(3-quinolyl)nonanoic acid CAS Name: 9-[6-[bis(2,2-dimethyl-1-oxopropyl)amino]-4-pyrimidinyl]-3-(3-quinolinyl)nonanoic acid IUPAC Name: 9-[6-[bis(2,2-dimethylpropanoyl)amino]pyrimidin-4-yl]-3-quinolin-3-ylnonanoic acid Traditional Name: 9-[6-(dipivaloylamino)pyrimidin-4-yl]-3-(3-quinolyl)pelargonic acid Formula: C32H42N4O4 MolecularWeight: 546.70028

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)N(C1=NC=NC(=C1)CCCCCCC(CC(=O)O)C2=CC3=CC=CC=C3N=C2)C(=O)C(C)(C)C

Isomeric SMILES

CC(C)(C)C(=O)N(C1=NC=NC(=C1)CCCCCCC(CC(=O)O)C2=CC3=CC=CC=C3N=C2)C(=O)C(C)(C)C

InChI

InChI=1S/C32H42N4O4/c1-31(2,3)29(39)36(30(40)32(4,5)6)27-19-25(34-21-35-27)15-10-8-7-9-13-22(18-28(37)38)24-17-23-14-11-12-16-26(23)33-20-24/h11-12,14,16-17,19-22H,7-10,13,15,18H2,1-6H3,(H,37,38)