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

Systemtic Name: 3-[2-[(3-methyl-1-phenyl-butyl)carbamoyl]-4-(phenylazanylmethyl)phenyl]propanoic acid Openeye Name: 3-[4-(anilinomethyl)-2-[(3-methyl-1-phenyl-butyl)carbamoyl]phenyl]propanoic acid CAS Name: 3-[4-(anilinomethyl)-2-[[(3-methyl-1-phenylbutyl)amino]-oxomethyl]phenyl]propanoic acid IUPAC Name: 3-[4-(anilinomethyl)-2-[(3-methyl-1-phenylbutyl)carbamoyl]phenyl]propanoic acid Traditional Name: 3-[4-(anilinomethyl)-2-[(3-methyl-1-phenyl-butyl)carbamoyl]phenyl]propionic acid Formula: C28H32N2O3 MolecularWeight: 444.56528

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1=CC=CC=C1)NC(=O)C2=C(C=CC(=C2)CNC3=CC=CC=C3)CCC(=O)O

Isomeric SMILES

CC(C)CC(C1=CC=CC=C1)NC(=O)C2=C(C=CC(=C2)CNC3=CC=CC=C3)CCC(=O)O

InChI

InChI=1S/C28H32N2O3/c1-20(2)17-26(23-9-5-3-6-10-23)30-28(33)25-18-21(13-14-22(25)15-16-27(31)32)19-29-24-11-7-4-8-12-24/h3-14,18,20,26,29H,15-17,19H2,1-2H3,(H,30,33)(H,31,32)