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

Systemtic Name: 4-[4-isocyano-2-[(4-methyl-2-naphthalen-1-yl-pentanoyl)amino]phenyl]butanoic acid Openeye Name: 4-[4-isocyano-2-[[4-methyl-2-(1-naphthyl)pentanoyl]amino]phenyl]butanoic acid CAS Name: 4-[4-isocyano-2-[[4-methyl-2-(1-naphthalenyl)-1-oxopentyl]amino]phenyl]butanoic acid IUPAC Name: 4-[4-isocyano-2-[(4-methyl-2-naphthalen-1-ylpentanoyl)amino]phenyl]butanoic acid Traditional Name: 4-[4-isocyano-2-[[4-methyl-2-(1-naphthyl)pentanoyl]amino]phenyl]butyric acid Formula: C27H28N2O3 MolecularWeight: 428.52282

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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-])CCCC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C27H28N2O3/c1-18(2)16-24(23-12-6-9-19-8-4-5-11-22(19)23)27(32)29-25-17-21(28-3)15-14-20(25)10-7-13-26(30)31/h4-6,8-9,11-12,14-15,17-18,24H,7,10,13,16H2,1-2H3,(H,29,32)(H,30,31)