3-[2-(3-methylbutylcarbamoyl)-4-(phenoxymethyl)phenyl]propanoic acid

Systemtic Name: 3-[2-(3-methylbutylcarbamoyl)-4-(phenoxymethyl)phenyl]propanoic acid Openeye Name: 3-[2-(isopentylcarbamoyl)-4-(phenoxymethyl)phenyl]propanoic acid CAS Name: 3-[2-[(3-methylbutylamino)-oxomethyl]-4-(phenoxymethyl)phenyl]propanoic acid IUPAC Name: 3-[2-(3-methylbutylcarbamoyl)-4-(phenoxymethyl)phenyl]propanoic acid Traditional Name: 3-[2-(isoamylcarbamoyl)-4-(phenoxymethyl)phenyl]propionic acid Formula: C22H27NO4 MolecularWeight: 369.45408

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)C1=C(C=CC(=C1)COC2=CC=CC=C2)CCC(=O)O

Isomeric SMILES

CC(C)CCNC(=O)C1=C(C=CC(=C1)COC2=CC=CC=C2)CCC(=O)O

InChI

InChI=1S/C22H27NO4/c1-16(2)12-13-23-22(26)20-14-17(8-9-18(20)10-11-21(24)25)15-27-19-6-4-3-5-7-19/h3-9,14,16H,10-13,15H2,1-2H3,(H,23,26)(H,24,25)