2-[[4-isocyano-2-[(4-methyl-2-phenyl-pentanoyl)amino]phenyl]methyl]benzoic acid

Systemtic Name: 2-[[4-isocyano-2-[(4-methyl-2-phenyl-pentanoyl)amino]phenyl]methyl]benzoic acid Openeye Name: 2-[[4-isocyano-2-[(4-methyl-2-phenyl-pentanoyl)amino]phenyl]methyl]benzoic acid CAS Name: 2-[[4-isocyano-2-[(4-methyl-1-oxo-2-phenylpentyl)amino]phenyl]methyl]benzoic acid IUPAC Name: 2-[[4-isocyano-2-[(4-methyl-2-phenylpentanoyl)amino]phenyl]methyl]benzoic acid Traditional Name: 2-[4-isocyano-2-[(4-methyl-2-phenyl-pentanoyl)amino]benzyl]benzoic acid Formula: C27H26N2O3 MolecularWeight: 426.50694

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1=CC=CC=C1)C(=O)NC2=C(C=CC(=C2)[N+]#[C-])CC3=CC=CC=C3C(=O)O

Isomeric SMILES

CC(C)CC(C1=CC=CC=C1)C(=O)NC2=C(C=CC(=C2)[N+]#[C-])CC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C27H26N2O3/c1-18(2)15-24(19-9-5-4-6-10-19)26(30)29-25-17-22(28-3)14-13-21(25)16-20-11-7-8-12-23(20)27(31)32/h4-14,17-18,24H,15-16H2,1-2H3,(H,29,30)(H,31,32)