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

Systemtic Name: 2-[[4-isocyano-2-[(4-methyl-2-naphthalen-1-yl-pentanoyl)amino]phenyl]methyl]benzoic acid Openeye Name: 2-[[4-isocyano-2-[[4-methyl-2-(1-naphthyl)pentanoyl]amino]phenyl]methyl]benzoic acid CAS Name: 2-[[4-isocyano-2-[[4-methyl-2-(1-naphthalenyl)-1-oxopentyl]amino]phenyl]methyl]benzoic acid IUPAC Name: 2-[[4-isocyano-2-[(4-methyl-2-naphthalen-1-ylpentanoyl)amino]phenyl]methyl]benzoic acid Traditional Name: 2-[4-isocyano-2-[[4-methyl-2-(1-naphthyl)pentanoyl]amino]benzyl]benzoic acid Formula: C31H28N2O3 MolecularWeight: 476.56562

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1=CC=CC2=CC=CC=C21)C(=O)NC3=C(C=CC(=C3)[N+]#[C-])CC4=CC=CC=C4C(=O)O

Isomeric SMILES

CC(C)CC(C1=CC=CC2=CC=CC=C21)C(=O)NC3=C(C=CC(=C3)[N+]#[C-])CC4=CC=CC=C4C(=O)O

InChI

InChI=1S/C31H28N2O3/c1-20(2)17-28(27-14-8-11-21-9-4-6-12-25(21)27)30(34)33-29-19-24(32-3)16-15-23(29)18-22-10-5-7-13-26(22)31(35)36/h4-16,19-20,28H,17-18H2,1-2H3,(H,33,34)(H,35,36)