3-[4-isocyano-2-[(4-methyl-2-naphthalen-1-yl-pentanoyl)amino]phenyl]propanoic acid

Systemtic Name: 3-[4-isocyano-2-[(4-methyl-2-naphthalen-1-yl-pentanoyl)amino]phenyl]propanoic acid Openeye Name: 3-[4-isocyano-2-[[4-methyl-2-(1-naphthyl)pentanoyl]amino]phenyl]propanoic acid CAS Name: 3-[4-isocyano-2-[[4-methyl-2-(1-naphthalenyl)-1-oxopentyl]amino]phenyl]propanoic acid IUPAC Name: 3-[4-isocyano-2-[(4-methyl-2-naphthalen-1-ylpentanoyl)amino]phenyl]propanoic acid Traditional Name: 3-[4-isocyano-2-[[4-methyl-2-(1-naphthyl)pentanoyl]amino]phenyl]propionic acid Formula: C26H26N2O3 MolecularWeight: 414.49624

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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-])CCC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C26H26N2O3/c1-17(2)15-23(22-10-6-8-18-7-4-5-9-21(18)22)26(31)28-24-16-20(27-3)13-11-19(24)12-14-25(29)30/h4-11,13,16-17,23H,12,14-15H2,1-2H3,(H,28,31)(H,29,30)