2-[[4-[(3-cyanophenoxy)methyl]-2-(2-naphthalen-1-ylpropanoylamino)phenyl]methyl]benzoic acid

Systemtic Name: 2-[[4-[(3-cyanophenoxy)methyl]-2-(2-naphthalen-1-ylpropanoylamino)phenyl]methyl]benzoic acid Openeye Name: 2-[[4-[(3-cyanophenoxy)methyl]-2-[2-(1-naphthyl)propanoylamino]phenyl]methyl]benzoic acid CAS Name: 2-[[4-[(3-cyanophenoxy)methyl]-2-[[2-(1-naphthalenyl)-1-oxopropyl]amino]phenyl]methyl]benzoic acid IUPAC Name: 2-[[4-[(3-cyanophenoxy)methyl]-2-(2-naphthalen-1-ylpropanoylamino)phenyl]methyl]benzoic acid Traditional Name: 2-[4-[(3-cyanophenoxy)methyl]-2-[2-(1-naphthyl)propanoylamino]benzyl]benzoic acid Formula: C35H28N2O4 MolecularWeight: 540.60782

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC2=CC=CC=C21)C(=O)NC3=C(C=CC(=C3)COC4=CC=CC(=C4)C#N)CC5=CC=CC=C5C(=O)O

Isomeric SMILES

CC(C1=CC=CC2=CC=CC=C21)C(=O)NC3=C(C=CC(=C3)COC4=CC=CC(=C4)C#N)CC5=CC=CC=C5C(=O)O

InChI

InChI=1S/C35H28N2O4/c1-23(30-15-7-11-26-9-2-4-13-31(26)30)34(38)37-33-19-25(22-41-29-12-6-8-24(18-29)21-36)16-17-28(33)20-27-10-3-5-14-32(27)35(39)40/h2-19,23H,20,22H2,1H3,(H,37,38)(H,39,40)