[1-[(1-cyano-2-phenylmethoxy-ethyl)amino]-4-methyl-1-oxidanylidene-pentan-2-yl] 3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: [1-[(1-cyano-2-phenylmethoxy-ethyl)amino]-4-methyl-1-oxidanylidene-pentan-2-yl] 3-methyl-1-benzofuran-2-carboxylate Openeye Name: [1-[(2-benzyloxy-1-cyano-ethyl)carbamoyl]-3-methyl-butyl] 3-methylbenzofuran-2-carboxylate CAS Name: 3-methyl-2-benzofurancarboxylic acid [1-[(1-cyano-2-phenylmethoxyethyl)amino]-4-methyl-1-oxopentan-2-yl] ester IUPAC Name: [1-[(1-cyano-2-phenylmethoxyethyl)amino]-4-methyl-1-oxopentan-2-yl] 3-methyl-1-benzofuran-2-carboxylate Traditional Name: 3-methylcoumarilic acid [1-[(2-benzoxy-1-cyano-ethyl)carbamoyl]-3-methyl-butyl] ester Formula: C26H28N2O5 MolecularWeight: 448.51092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=CC=CC=C12)C(=O)OC(CC(C)C)C(=O)NC(COCC3=CC=CC=C3)C#N

Isomeric SMILES

CC1=C(OC2=CC=CC=C12)C(=O)OC(CC(C)C)C(=O)NC(COCC3=CC=CC=C3)C#N

InChI

InChI=1S/C26H28N2O5/c1-17(2)13-23(33-26(30)24-18(3)21-11-7-8-12-22(21)32-24)25(29)28-20(14-27)16-31-15-19-9-5-4-6-10-19/h4-12,17,20,23H,13,15-16H2,1-3H3,(H,28,29)