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

Systemtic Name: butyl 4-[4-isocyano-2-(2-naphthalen-1-ylpropanoylamino)phenyl]butanoate Openeye Name: butyl 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 butyl ester IUPAC Name: butyl 4-[4-isocyano-2-(2-naphthalen-1-ylpropanoylamino)phenyl]butanoate Traditional Name: 4-[4-isocyano-2-[2-(1-naphthyl)propanoylamino]phenyl]butyric acid butyl ester Formula: C28H30N2O3 MolecularWeight: 442.5494

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CCCC1=C(C=C(C=C1)[N+]#[C-])NC(=O)C(C)C2=CC=CC3=CC=CC=C32

Isomeric SMILES

CCCCOC(=O)CCCC1=C(C=C(C=C1)[N+]#[C-])NC(=O)C(C)C2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C28H30N2O3/c1-4-5-18-33-27(31)15-9-12-22-16-17-23(29-3)19-26(22)30-28(32)20(2)24-14-8-11-21-10-6-7-13-25(21)24/h6-8,10-11,13-14,16-17,19-20H,4-5,9,12,15,18H2,1-2H3,(H,30,32)