2-[[2-[(3-methyl-2-naphthalen-1-yl-butanoyl)amino]phenyl]methyl]benzoic acid

Systemtic Name: 2-[[2-[(3-methyl-2-naphthalen-1-yl-butanoyl)amino]phenyl]methyl]benzoic acid Openeye Name: 2-[[2-[[3-methyl-2-(1-naphthyl)butanoyl]amino]phenyl]methyl]benzoic acid CAS Name: 2-[[2-[[3-methyl-2-(1-naphthalenyl)-1-oxobutyl]amino]phenyl]methyl]benzoic acid IUPAC Name: 2-[[2-[(3-methyl-2-naphthalen-1-ylbutanoyl)amino]phenyl]methyl]benzoic acid Traditional Name: 2-[2-[[3-methyl-2-(1-naphthyl)butanoyl]amino]benzyl]benzoic acid Formula: C29H27NO3 MolecularWeight: 437.52958

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC=CC2=CC=CC=C21)C(=O)NC3=CC=CC=C3CC4=CC=CC=C4C(=O)O

Isomeric SMILES

CC(C)C(C1=CC=CC2=CC=CC=C21)C(=O)NC3=CC=CC=C3CC4=CC=CC=C4C(=O)O

InChI

InChI=1S/C29H27NO3/c1-19(2)27(25-16-9-13-20-10-3-6-14-23(20)25)28(31)30-26-17-8-5-12-22(26)18-21-11-4-7-15-24(21)29(32)33/h3-17,19,27H,18H2,1-2H3,(H,30,31)(H,32,33)