2-[[2-[(4,4-dimethyl-2-naphthalen-1-yl-pentanoyl)amino]phenyl]methyl]benzoic acid

Systemtic Name: 2-[[2-[(4,4-dimethyl-2-naphthalen-1-yl-pentanoyl)amino]phenyl]methyl]benzoic acid Openeye Name: 2-[[2-[[4,4-dimethyl-2-(1-naphthyl)pentanoyl]amino]phenyl]methyl]benzoic acid CAS Name: 2-[[2-[[4,4-dimethyl-2-(1-naphthalenyl)-1-oxopentyl]amino]phenyl]methyl]benzoic acid IUPAC Name: 2-[[2-[(4,4-dimethyl-2-naphthalen-1-ylpentanoyl)amino]phenyl]methyl]benzoic acid Traditional Name: 2-[2-[[4,4-dimethyl-2-(1-naphthyl)pentanoyl]amino]benzyl]benzoic acid Formula: C31H31NO3 MolecularWeight: 465.58274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H31NO3/c1-31(2,3)20-27(26-17-10-14-21-11-4-7-15-24(21)26)29(33)32-28-18-9-6-13-23(28)19-22-12-5-8-16-25(22)30(34)35/h4-18,27H,19-20H2,1-3H3,(H,32,33)(H,34,35)