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

Systemtic Name: 3-[4-[(3-cyanophenyl)methoxy]-2-[(3-methyl-1-phenyl-butyl)carbamoyl]phenyl]propanoic acid Openeye Name: 3-[4-[(3-cyanophenyl)methoxy]-2-[(3-methyl-1-phenyl-butyl)carbamoyl]phenyl]propanoic acid CAS Name: 3-[4-[(3-cyanophenyl)methoxy]-2-[[(3-methyl-1-phenylbutyl)amino]-oxomethyl]phenyl]propanoic acid IUPAC Name: 3-[4-[(3-cyanophenyl)methoxy]-2-[(3-methyl-1-phenylbutyl)carbamoyl]phenyl]propanoic acid Traditional Name: 3-[4-(3-cyanobenzyl)oxy-2-[(3-methyl-1-phenyl-butyl)carbamoyl]phenyl]propionic acid Formula: C29H30N2O4 MolecularWeight: 470.5595

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1=CC=CC=C1)NC(=O)C2=C(C=CC(=C2)OCC3=CC=CC(=C3)C#N)CCC(=O)O

Isomeric SMILES

CC(C)CC(C1=CC=CC=C1)NC(=O)C2=C(C=CC(=C2)OCC3=CC=CC(=C3)C#N)CCC(=O)O

InChI

InChI=1S/C29H30N2O4/c1-20(2)15-27(24-9-4-3-5-10-24)31-29(34)26-17-25(13-11-23(26)12-14-28(32)33)35-19-22-8-6-7-21(16-22)18-30/h3-11,13,16-17,20,27H,12,14-15,19H2,1-2H3,(H,31,34)(H,32,33)