2-[4-isocyano-2-[(4-methyl-2-naphthalen-1-yl-pentanoyl)amino]phenoxy]ethanoic acid

Systemtic Name: 2-[4-isocyano-2-[(4-methyl-2-naphthalen-1-yl-pentanoyl)amino]phenoxy]ethanoic acid Openeye Name: 2-[4-isocyano-2-[[4-methyl-2-(1-naphthyl)pentanoyl]amino]phenoxy]acetic acid CAS Name: 2-[4-isocyano-2-[[4-methyl-2-(1-naphthalenyl)-1-oxopentyl]amino]phenoxy]acetic acid IUPAC Name: 2-[4-isocyano-2-[(4-methyl-2-naphthalen-1-ylpentanoyl)amino]phenoxy]acetic acid Traditional Name: 2-[4-isocyano-2-[[4-methyl-2-(1-naphthyl)pentanoyl]amino]phenoxy]acetic acid Formula: C25H24N2O4 MolecularWeight: 416.46906

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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-])OCC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C25H24N2O4/c1-16(2)13-21(20-10-6-8-17-7-4-5-9-19(17)20)25(30)27-22-14-18(26-3)11-12-23(22)31-15-24(28)29/h4-12,14,16,21H,13,15H2,1-2H3,(H,27,30)(H,28,29)