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

Systemtic Name: propyl 4-[[2-[(1-cyano-1-cyclopropyl-ethyl)amino]-2-oxidanylidene-ethyl]amino]benzoate Openeye Name: propyl 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 propyl ester IUPAC Name: propyl 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 propyl ester Formula: C18H23N3O3 MolecularWeight: 329.39352

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O3/c1-3-10-24-17(23)13-4-8-15(9-5-13)20-11-16(22)21-18(2,12-19)14-6-7-14/h4-5,8-9,14,20H,3,6-7,10-11H2,1-2H3,(H,21,22)