methyl 2-[(5-cyano-2,3-dihydro-1-benzofuran-3-yl)-ethanoyl-amino]-3-phenyl-propanoate

Systemtic Name: methyl 2-[(5-cyano-2,3-dihydro-1-benzofuran-3-yl)-ethanoyl-amino]-3-phenyl-propanoate Openeye Name: methyl 2-[acetyl-(5-cyano-2,3-dihydrobenzofuran-3-yl)amino]-3-phenyl-propanoate CAS Name: 2-[acetyl-(5-cyano-2,3-dihydrobenzofuran-3-yl)amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 2-[acetyl-(5-cyano-2,3-dihydro-1-benzofuran-3-yl)amino]-3-phenylpropanoate Traditional Name: 2-[acetyl-(5-cyanocoumaran-3-yl)amino]-3-phenyl-propionic acid methyl ester Formula: C21H20N2O4 MolecularWeight: 364.3945

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(C1COC2=C1C=C(C=C2)C#N)C(CC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC(=O)N(C1COC2=C1C=C(C=C2)C#N)C(CC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C21H20N2O4/c1-14(24)23(18(21(25)26-2)11-15-6-4-3-5-7-15)19-13-27-20-9-8-16(12-22)10-17(19)20/h3-10,18-19H,11,13H2,1-2H3