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

Systemtic Name: 3-[2-[(4-methyl-1-phenyl-pentan-2-yl)carbamoyl]-4-(phenoxymethyl)phenyl]propanoic acid Openeye Name: 3-[2-[(1-benzyl-3-methyl-butyl)carbamoyl]-4-(phenoxymethyl)phenyl]propanoic acid CAS Name: 3-[2-[[(4-methyl-1-phenylpentan-2-yl)amino]-oxomethyl]-4-(phenoxymethyl)phenyl]propanoic acid IUPAC Name: 3-[2-[(4-methyl-1-phenylpentan-2-yl)carbamoyl]-4-(phenoxymethyl)phenyl]propanoic acid Traditional Name: 3-[2-[(1-benzyl-3-methyl-butyl)carbamoyl]-4-(phenoxymethyl)phenyl]propionic acid Formula: C29H33NO4 MolecularWeight: 459.57662

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CC1=CC=CC=C1)NC(=O)C2=C(C=CC(=C2)COC3=CC=CC=C3)CCC(=O)O

Isomeric SMILES

CC(C)CC(CC1=CC=CC=C1)NC(=O)C2=C(C=CC(=C2)COC3=CC=CC=C3)CCC(=O)O

InChI

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