4-[4-cyano-2-[(3-cyclopropyl-2-naphthalen-1-yl-propanoyl)amino]phenyl]butanoic acid

Systemtic Name: 4-[4-cyano-2-[(3-cyclopropyl-2-naphthalen-1-yl-propanoyl)amino]phenyl]butanoic acid Openeye Name: 4-[4-cyano-2-[[3-cyclopropyl-2-(1-naphthyl)propanoyl]amino]phenyl]butanoic acid CAS Name: 4-[4-cyano-2-[[3-cyclopropyl-2-(1-naphthalenyl)-1-oxopropyl]amino]phenyl]butanoic acid IUPAC Name: 4-[4-cyano-2-[(3-cyclopropyl-2-naphthalen-1-ylpropanoyl)amino]phenyl]butanoic acid Traditional Name: 4-[4-cyano-2-[[3-cyclopropyl-2-(1-naphthyl)propanoyl]amino]phenyl]butyric acid Formula: C27H26N2O3 MolecularWeight: 426.50694

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1CC(C2=CC=CC3=CC=CC=C32)C(=O)NC4=C(C=CC(=C4)C#N)CCCC(=O)O

Isomeric SMILES

C1CC1CC(C2=CC=CC3=CC=CC=C32)C(=O)NC4=C(C=CC(=C4)C#N)CCCC(=O)O

InChI

InChI=1S/C27H26N2O3/c28-17-19-13-14-21(7-4-10-26(30)31)25(16-19)29-27(32)24(15-18-11-12-18)23-9-3-6-20-5-1-2-8-22(20)23/h1-3,5-6,8-9,13-14,16,18,24H,4,7,10-12,15H2,(H,29,32)(H,30,31)