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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1C(=O)NC(CC(C)C)C2=CC=CC=C2)CCC(=O)O)COC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC(=C1C(=O)NC(CC(C)C)C2=CC=CC=C2)CCC(=O)O)COC3=CC=CC=C3

InChI

InChI=1S/C29H33NO4/c1-20(2)18-26(22-10-6-4-7-11-22)30-29(33)28-21(3)24(15-14-23(28)16-17-27(31)32)19-34-25-12-8-5-9-13-25/h4-15,20,26H,16-19H2,1-3H3,(H,30,33)(H,31,32)