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

Systemtic Name: 4-[4-[(4-cyanophenoxy)methyl]-2-(2-naphthalen-1-ylpropanoylamino)phenyl]butanoic acid Openeye Name: 4-[4-[(4-cyanophenoxy)methyl]-2-[2-(1-naphthyl)propanoylamino]phenyl]butanoic acid CAS Name: 4-[4-[(4-cyanophenoxy)methyl]-2-[[2-(1-naphthalenyl)-1-oxopropyl]amino]phenyl]butanoic acid IUPAC Name: 4-[4-[(4-cyanophenoxy)methyl]-2-(2-naphthalen-1-ylpropanoylamino)phenyl]butanoic acid Traditional Name: 4-[4-[(4-cyanophenoxy)methyl]-2-[2-(1-naphthyl)propanoylamino]phenyl]butyric acid Formula: C31H28N2O4 MolecularWeight: 492.56502

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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=C(C=C4)C#N)CCCC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C31H28N2O4/c1-21(27-10-4-7-24-6-2-3-9-28(24)27)31(36)33-29-18-23(12-15-25(29)8-5-11-30(34)35)20-37-26-16-13-22(19-32)14-17-26/h2-4,6-7,9-10,12-18,21H,5,8,11,20H2,1H3,(H,33,36)(H,34,35)