ethyl 4-[[2-[(1-cyano-1-cyclopropyl-ethyl)amino]-2-oxidanylidene-ethyl]amino]benzoate

Systemtic Name: ethyl 4-[[2-[(1-cyano-1-cyclopropyl-ethyl)amino]-2-oxidanylidene-ethyl]amino]benzoate Openeye Name: ethyl 4-[[2-[(1-cyano-1-cyclopropyl-ethyl)amino]-2-oxo-ethyl]amino]benzoate CAS Name: 4-[[2-[(1-cyano-1-cyclopropylethyl)amino]-2-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[(1-cyano-1-cyclopropylethyl)amino]-2-oxoethyl]amino]benzoate Traditional Name: 4-[[2-[(1-cyano-1-cyclopropyl-ethyl)amino]-2-keto-ethyl]amino]benzoic acid ethyl ester Formula: C17H21N3O3 MolecularWeight: 315.36694

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NCC(=O)NC(C)(C#N)C2CC2

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NCC(=O)NC(C)(C#N)C2CC2

InChI

InChI=1S/C17H21N3O3/c1-3-23-16(22)12-4-8-14(9-5-12)19-10-15(21)20-17(2,11-18)13-6-7-13/h4-5,8-9,13,19H,3,6-7,10H2,1-2H3,(H,20,21)