methyl 4-[4-isocyano-2-(2-naphthalen-1-ylpropanoylamino)phenyl]butanoate

Systemtic Name: methyl 4-[4-isocyano-2-(2-naphthalen-1-ylpropanoylamino)phenyl]butanoate Openeye Name: methyl 4-[4-isocyano-2-[2-(1-naphthyl)propanoylamino]phenyl]butanoate CAS Name: 4-[4-isocyano-2-[[2-(1-naphthalenyl)-1-oxopropyl]amino]phenyl]butanoic acid methyl ester IUPAC Name: methyl 4-[4-isocyano-2-(2-naphthalen-1-ylpropanoylamino)phenyl]butanoate Traditional Name: 4-[4-isocyano-2-[2-(1-naphthyl)propanoylamino]phenyl]butyric acid methyl ester Formula: C25H24N2O3 MolecularWeight: 400.46966

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H24N2O3/c1-17(21-12-6-9-18-8-4-5-11-22(18)21)25(29)27-23-16-20(26-2)15-14-19(23)10-7-13-24(28)30-3/h4-6,8-9,11-12,14-17H,7,10,13H2,1,3H3,(H,27,29)