3-[2-[(4-methyl-2-phenyl-pentyl)carbamoyl]-4-(phenoxymethyl)phenyl]propanoic acid

Systemtic Name: 3-[2-[(4-methyl-2-phenyl-pentyl)carbamoyl]-4-(phenoxymethyl)phenyl]propanoic acid Openeye Name: 3-[2-[(4-methyl-2-phenyl-pentyl)carbamoyl]-4-(phenoxymethyl)phenyl]propanoic acid CAS Name: 3-[2-[[(4-methyl-2-phenylpentyl)amino]-oxomethyl]-4-(phenoxymethyl)phenyl]propanoic acid IUPAC Name: 3-[2-[(4-methyl-2-phenylpentyl)carbamoyl]-4-(phenoxymethyl)phenyl]propanoic acid Traditional Name: 3-[2-[(4-methyl-2-phenyl-pentyl)carbamoyl]-4-(phenoxymethyl)phenyl]propionic acid Formula: C29H33NO4 MolecularWeight: 459.57662

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CNC(=O)C1=C(C=CC(=C1)COC2=CC=CC=C2)CCC(=O)O)C3=CC=CC=C3

Isomeric SMILES

CC(C)CC(CNC(=O)C1=C(C=CC(=C1)COC2=CC=CC=C2)CCC(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C29H33NO4/c1-21(2)17-25(23-9-5-3-6-10-23)19-30-29(33)27-18-22(13-14-24(27)15-16-28(31)32)20-34-26-11-7-4-8-12-26/h3-14,18,21,25H,15-17,19-20H2,1-2H3,(H,30,33)(H,31,32)