methyl 3-[[2-cyanoethyl(oxolan-2-ylmethyl)carbamoyl]amino]benzoate

Systemtic Name: methyl 3-[[2-cyanoethyl(oxolan-2-ylmethyl)carbamoyl]amino]benzoate Openeye Name: methyl 3-[[2-cyanoethyl(tetrahydrofuran-2-ylmethyl)carbamoyl]amino]benzoate CAS Name: 3-[[[2-cyanoethyl(2-oxolanylmethyl)amino]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-cyanoethyl(oxolan-2-ylmethyl)carbamoyl]amino]benzoate Traditional Name: 3-[[2-cyanoethyl(tetrahydrofurfuryl)carbamoyl]amino]benzoic acid methyl ester Formula: C17H21N3O4 MolecularWeight: 331.36634

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC(=O)N(CCC#N)CC2CCCO2

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC(=O)N(CCC#N)CC2CCCO2

InChI

InChI=1S/C17H21N3O4/c1-23-16(21)13-5-2-6-14(11-13)19-17(22)20(9-4-8-18)12-15-7-3-10-24-15/h2,5-6,11,15H,3-4,7,9-10,12H2,1H3,(H,19,22)