3-[4-[(3-cyanophenoxy)methyl]-2-[(3-methyl-1-naphthalen-1-yl-butyl)carbamoyl]phenyl]propanoic acid

Systemtic Name: 3-[4-[(3-cyanophenoxy)methyl]-2-[(3-methyl-1-naphthalen-1-yl-butyl)carbamoyl]phenyl]propanoic acid Openeye Name: 3-[4-[(3-cyanophenoxy)methyl]-2-[[3-methyl-1-(1-naphthyl)butyl]carbamoyl]phenyl]propanoic acid CAS Name: 3-[4-[(3-cyanophenoxy)methyl]-2-[[[3-methyl-1-(1-naphthalenyl)butyl]amino]-oxomethyl]phenyl]propanoic acid IUPAC Name: 3-[4-[(3-cyanophenoxy)methyl]-2-[(3-methyl-1-naphthalen-1-ylbutyl)carbamoyl]phenyl]propanoic acid Traditional Name: 3-[4-[(3-cyanophenoxy)methyl]-2-[[3-methyl-1-(1-naphthyl)butyl]carbamoyl]phenyl]propionic acid Formula: C33H32N2O4 MolecularWeight: 520.61818

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1=CC=CC2=CC=CC=C21)NC(=O)C3=C(C=CC(=C3)COC4=CC=CC(=C4)C#N)CCC(=O)O

Isomeric SMILES

CC(C)CC(C1=CC=CC2=CC=CC=C21)NC(=O)C3=C(C=CC(=C3)COC4=CC=CC(=C4)C#N)CCC(=O)O

InChI

InChI=1S/C33H32N2O4/c1-22(2)17-31(29-12-6-9-25-8-3-4-11-28(25)29)35-33(38)30-19-24(13-14-26(30)15-16-32(36)37)21-39-27-10-5-7-23(18-27)20-34/h3-14,18-19,22,31H,15-17,21H2,1-2H3,(H,35,38)(H,36,37)