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

Systemtic Name: 3-[2-[(3-methyl-1-phenyl-butyl)carbamoyl]-4-(pyridin-4-yloxymethyl)phenyl]propanoic acid Openeye Name: 3-[2-[(3-methyl-1-phenyl-butyl)carbamoyl]-4-(4-pyridyloxymethyl)phenyl]propanoic acid CAS Name: 3-[2-[[(3-methyl-1-phenylbutyl)amino]-oxomethyl]-4-(pyridin-4-yloxymethyl)phenyl]propanoic acid IUPAC Name: 3-[2-[(3-methyl-1-phenylbutyl)carbamoyl]-4-(pyridin-4-yloxymethyl)phenyl]propanoic acid Traditional Name: 3-[2-[(3-methyl-1-phenyl-butyl)carbamoyl]-4-(4-pyridyloxymethyl)phenyl]propionic acid Formula: C27H30N2O4 MolecularWeight: 446.5381

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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=CC=NC=C3)CCC(=O)O

Isomeric SMILES

CC(C)CC(C1=CC=CC=C1)NC(=O)C2=C(C=CC(=C2)COC3=CC=NC=C3)CCC(=O)O

InChI

InChI=1S/C27H30N2O4/c1-19(2)16-25(22-6-4-3-5-7-22)29-27(32)24-17-20(8-9-21(24)10-11-26(30)31)18-33-23-12-14-28-15-13-23/h3-9,12-15,17,19,25H,10-11,16,18H2,1-2H3,(H,29,32)(H,30,31)