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

Systemtic Name: propan-2-yl 4-[[2-[[(1S)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxidanylidene-ethyl]amino]benzoate Openeye Name: isopropyl 4-[[2-[[(1S)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxo-ethyl]amino]benzoate CAS Name: 4-[[2-[[(1S)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl]amino]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[[2-[[(1S)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl]amino]benzoate Traditional Name: 4-[[2-[[(1S)-1-cyano-1-cyclopropyl-ethyl]amino]-2-keto-ethyl]amino]benzoic acid isopropyl ester Formula: C18H23N3O3 MolecularWeight: 329.39352

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)OC(=O)C1=CC=C(C=C1)NCC(=O)N[C@](C)(C#N)C2CC2

InChI

InChI=1S/C18H23N3O3/c1-12(2)24-17(23)13-4-8-15(9-5-13)20-10-16(22)21-18(3,11-19)14-6-7-14/h4-5,8-9,12,14,20H,6-7,10H2,1-3H3,(H,21,22)/t18-/m1/s1