3-[2-[(3-methyl-1-phenyl-butyl)carbamoyl]-4-(pyrimidin-2-yloxymethyl)phenyl]propanoic acid

Systemtic Name: 3-[2-[(3-methyl-1-phenyl-butyl)carbamoyl]-4-(pyrimidin-2-yloxymethyl)phenyl]propanoic acid Openeye Name: 3-[2-[(3-methyl-1-phenyl-butyl)carbamoyl]-4-(pyrimidin-2-yloxymethyl)phenyl]propanoic acid CAS Name: 3-[2-[[(3-methyl-1-phenylbutyl)amino]-oxomethyl]-4-(2-pyrimidinyloxymethyl)phenyl]propanoic acid IUPAC Name: 3-[2-[(3-methyl-1-phenylbutyl)carbamoyl]-4-(pyrimidin-2-yloxymethyl)phenyl]propanoic acid Traditional Name: 3-[2-[(3-methyl-1-phenyl-butyl)carbamoyl]-4-(2-pyrimidyloxymethyl)phenyl]propionic acid Formula: C26H29N3O4 MolecularWeight: 447.52616

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1=CC=CC=C1)NC(=O)C2=C(C=CC(=C2)COC3=NC=CC=N3)CCC(=O)O

Isomeric SMILES

CC(C)CC(C1=CC=CC=C1)NC(=O)C2=C(C=CC(=C2)COC3=NC=CC=N3)CCC(=O)O

InChI

InChI=1S/C26H29N3O4/c1-18(2)15-23(21-7-4-3-5-8-21)29-25(32)22-16-19(9-10-20(22)11-12-24(30)31)17-33-26-27-13-6-14-28-26/h3-10,13-14,16,18,23H,11-12,15,17H2,1-2H3,(H,29,32)(H,30,31)