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

Systemtic Name: 2-hydroxyethyl 4-[4-isocyano-2-(2-naphthalen-1-ylpropanoylamino)phenyl]butanoate Openeye Name: 2-hydroxyethyl 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-hydroxyethyl ester IUPAC Name: 2-hydroxyethyl 4-[4-isocyano-2-(2-naphthalen-1-ylpropanoylamino)phenyl]butanoate Traditional Name: 4-[4-isocyano-2-[2-(1-naphthyl)propanoylamino]phenyl]butyric acid 2-hydroxyethyl ester Formula: C26H26N2O4 MolecularWeight: 430.49564

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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)OCCO

Isomeric SMILES

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

InChI

InChI=1S/C26H26N2O4/c1-18(22-11-5-8-19-7-3-4-10-23(19)22)26(31)28-24-17-21(27-2)14-13-20(24)9-6-12-25(30)32-16-15-29/h3-5,7-8,10-11,13-14,17-18,29H,6,9,12,15-16H2,1H3,(H,28,31)