3-[5-methoxy-2-[(3-methyl-1-phenyl-butyl)carbamoyl]-4-(phenoxymethyl)phenyl]propanoic acid

Systemtic Name: 3-[5-methoxy-2-[(3-methyl-1-phenyl-butyl)carbamoyl]-4-(phenoxymethyl)phenyl]propanoic acid Openeye Name: 3-[5-methoxy-2-[(3-methyl-1-phenyl-butyl)carbamoyl]-4-(phenoxymethyl)phenyl]propanoic acid CAS Name: 3-[5-methoxy-2-[[(3-methyl-1-phenylbutyl)amino]-oxomethyl]-4-(phenoxymethyl)phenyl]propanoic acid IUPAC Name: 3-[5-methoxy-2-[(3-methyl-1-phenylbutyl)carbamoyl]-4-(phenoxymethyl)phenyl]propanoic acid Traditional Name: 3-[5-methoxy-2-[(3-methyl-1-phenyl-butyl)carbamoyl]-4-(phenoxymethyl)phenyl]propionic acid Formula: C29H33NO5 MolecularWeight: 475.57602

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1=CC=CC=C1)NC(=O)C2=CC(=C(C=C2CCC(=O)O)OC)COC3=CC=CC=C3

Isomeric SMILES

CC(C)CC(C1=CC=CC=C1)NC(=O)C2=CC(=C(C=C2CCC(=O)O)OC)COC3=CC=CC=C3

InChI

InChI=1S/C29H33NO5/c1-20(2)16-26(21-10-6-4-7-11-21)30-29(33)25-17-23(19-35-24-12-8-5-9-13-24)27(34-3)18-22(25)14-15-28(31)32/h4-13,17-18,20,26H,14-16,19H2,1-3H3,(H,30,33)(H,31,32)