3-[2-[(3-methyl-1-thiophen-2-yl-butyl)carbamoyl]-4-(phenoxymethyl)phenyl]propanoic acid

Systemtic Name: 3-[2-[(3-methyl-1-thiophen-2-yl-butyl)carbamoyl]-4-(phenoxymethyl)phenyl]propanoic acid Openeye Name: 3-[2-[[3-methyl-1-(2-thienyl)butyl]carbamoyl]-4-(phenoxymethyl)phenyl]propanoic acid CAS Name: 3-[2-[[(3-methyl-1-thiophen-2-ylbutyl)amino]-oxomethyl]-4-(phenoxymethyl)phenyl]propanoic acid IUPAC Name: 3-[2-[(3-methyl-1-thiophen-2-ylbutyl)carbamoyl]-4-(phenoxymethyl)phenyl]propanoic acid Traditional Name: 3-[2-[[3-methyl-1-(2-thienyl)butyl]carbamoyl]-4-(phenoxymethyl)phenyl]propionic acid Formula: C26H29NO4S MolecularWeight: 451.57776

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1=CC=CS1)NC(=O)C2=C(C=CC(=C2)COC3=CC=CC=C3)CCC(=O)O

Isomeric SMILES

CC(C)CC(C1=CC=CS1)NC(=O)C2=C(C=CC(=C2)COC3=CC=CC=C3)CCC(=O)O

InChI

InChI=1S/C26H29NO4S/c1-18(2)15-23(24-9-6-14-32-24)27-26(30)22-16-19(10-11-20(22)12-13-25(28)29)17-31-21-7-4-3-5-8-21/h3-11,14,16,18,23H,12-13,15,17H2,1-2H3,(H,27,30)(H,28,29)