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

Systemtic Name: 3-[4-cyano-2-[(3-cyclopropyl-2-naphthalen-1-yl-propanoyl)amino]phenyl]-2-methyl-benzoic acid Openeye Name: 3-[4-cyano-2-[[3-cyclopropyl-2-(1-naphthyl)propanoyl]amino]phenyl]-2-methyl-benzoic acid CAS Name: 3-[4-cyano-2-[[3-cyclopropyl-2-(1-naphthalenyl)-1-oxopropyl]amino]phenyl]-2-methylbenzoic acid IUPAC Name: 3-[4-cyano-2-[(3-cyclopropyl-2-naphthalen-1-ylpropanoyl)amino]phenyl]-2-methylbenzoic acid Traditional Name: 3-[4-cyano-2-[[3-cyclopropyl-2-(1-naphthyl)propanoyl]amino]phenyl]-2-methyl-benzoic acid Formula: C31H26N2O3 MolecularWeight: 474.54974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1C(=O)O)C2=C(C=C(C=C2)C#N)NC(=O)C(CC3CC3)C4=CC=CC5=CC=CC=C54

Isomeric SMILES

CC1=C(C=CC=C1C(=O)O)C2=C(C=C(C=C2)C#N)NC(=O)C(CC3CC3)C4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C31H26N2O3/c1-19-23(9-5-10-24(19)31(35)36)27-15-14-21(18-32)17-29(27)33-30(34)28(16-20-12-13-20)26-11-4-7-22-6-2-3-8-25(22)26/h2-11,14-15,17,20,28H,12-13,16H2,1H3,(H,33,34)(H,35,36)