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

Systemtic Name: 2-methoxyethyl 4-[4-isocyano-2-(2-naphthalen-1-ylpropanoylamino)phenyl]butanoate Openeye Name: 2-methoxyethyl 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 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 4-[4-isocyano-2-(2-naphthalen-1-ylpropanoylamino)phenyl]butanoate Traditional Name: 4-[4-isocyano-2-[2-(1-naphthyl)propanoylamino]phenyl]butyric acid 2-methoxyethyl ester Formula: C27H28N2O4 MolecularWeight: 444.52222

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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)OCCOC

Isomeric SMILES

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

InChI

InChI=1S/C27H28N2O4/c1-19(23-12-6-9-20-8-4-5-11-24(20)23)27(31)29-25-18-22(28-2)15-14-21(25)10-7-13-26(30)33-17-16-32-3/h4-6,8-9,11-12,14-15,18-19H,7,10,13,16-17H2,1,3H3,(H,29,31)