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

Systemtic Name: 3-[2-[(3-methyl-1-thiophen-3-yl-butyl)carbamoyl]-4-(phenoxymethyl)phenyl]propanoic acid Openeye Name: 3-[2-[[3-methyl-1-(3-thienyl)butyl]carbamoyl]-4-(phenoxymethyl)phenyl]propanoic acid CAS Name: 3-[2-[[[3-methyl-1-(3-thiophenyl)butyl]amino]-oxomethyl]-4-(phenoxymethyl)phenyl]propanoic acid IUPAC Name: 3-[2-[(3-methyl-1-thiophen-3-ylbutyl)carbamoyl]-4-(phenoxymethyl)phenyl]propanoic acid Traditional Name: 3-[2-[[3-methyl-1-(3-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=CSC=C1)NC(=O)C2=C(C=CC(=C2)COC3=CC=CC=C3)CCC(=O)O

Isomeric SMILES

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

InChI

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