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

Systemtic Name: 3-[2-[(3-methyl-1-phenyl-butyl)carbamoyl]-4-(pyrazin-2-yloxymethyl)phenyl]propanoic acid Openeye Name: 3-[2-[(3-methyl-1-phenyl-butyl)carbamoyl]-4-(pyrazin-2-yloxymethyl)phenyl]propanoic acid CAS Name: 3-[2-[[(3-methyl-1-phenylbutyl)amino]-oxomethyl]-4-(2-pyrazinyloxymethyl)phenyl]propanoic acid IUPAC Name: 3-[2-[(3-methyl-1-phenylbutyl)carbamoyl]-4-(pyrazin-2-yloxymethyl)phenyl]propanoic acid Traditional Name: 3-[2-[(3-methyl-1-phenyl-butyl)carbamoyl]-4-(pyrazin-2-yloxymethyl)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=CN=C3)CCC(=O)O

Isomeric SMILES

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

InChI

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