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

Systemtic Name: 2-methoxyethyl 4-[4-cyano-2-(2-naphthalen-1-ylpropanoylamino)phenyl]butanoate Openeye Name: 2-methoxyethyl 4-[4-cyano-2-[2-(1-naphthyl)propanoylamino]phenyl]butanoate CAS Name: 4-[4-cyano-2-[[2-(1-naphthalenyl)-1-oxopropyl]amino]phenyl]butanoic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 4-[4-cyano-2-(2-naphthalen-1-ylpropanoylamino)phenyl]butanoate Traditional Name: 4-[4-cyano-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)C#N)CCCC(=O)OCCOC

Isomeric SMILES

CC(C1=CC=CC2=CC=CC=C21)C(=O)NC3=C(C=CC(=C3)C#N)CCCC(=O)OCCOC

InChI

InChI=1S/C27H28N2O4/c1-19(23-11-5-8-21-7-3-4-10-24(21)23)27(31)29-25-17-20(18-28)13-14-22(25)9-6-12-26(30)33-16-15-32-2/h3-5,7-8,10-11,13-14,17,19H,6,9,12,15-16H2,1-2H3,(H,29,31)