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

Systemtic Name: methyl 2-[[4-isocyano-2-[(4-methyl-2-naphthalen-1-yl-pentanoyl)amino]phenyl]methyl]benzoate Openeye Name: methyl 2-[[4-isocyano-2-[[4-methyl-2-(1-naphthyl)pentanoyl]amino]phenyl]methyl]benzoate CAS Name: 2-[[4-isocyano-2-[[4-methyl-2-(1-naphthalenyl)-1-oxopentyl]amino]phenyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 2-[[4-isocyano-2-[(4-methyl-2-naphthalen-1-ylpentanoyl)amino]phenyl]methyl]benzoate Traditional Name: 2-[4-isocyano-2-[[4-methyl-2-(1-naphthyl)pentanoyl]amino]benzyl]benzoic acid methyl ester Formula: C32H30N2O3 MolecularWeight: 490.5922

Click to see the large picture

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)OC

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)OC

InChI

InChI=1S/C32H30N2O3/c1-21(2)18-29(28-15-9-12-22-10-5-7-13-26(22)28)31(35)34-30-20-25(33-3)17-16-24(30)19-23-11-6-8-14-27(23)32(36)37-4/h5-17,20-21,29H,18-19H2,1-2,4H3,(H,34,35)