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

Systemtic Name: [2-[[(1R)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxidanylidene-ethyl] 4-(4-hydroxyphenyl)benzoate Openeye Name: [2-[[(1R)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxo-ethyl] 4-(4-hydroxyphenyl)benzoate CAS Name: 4-(4-hydroxyphenyl)benzoic acid [2-[[(1R)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1R)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate Traditional Name: 4-(4-hydroxyphenyl)benzoic acid [2-[[(1R)-1-cyano-1-cyclopropyl-ethyl]amino]-2-keto-ethyl] ester Formula: C21H20N2O4 MolecularWeight: 364.3945

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)(C1CC1)NC(=O)COC(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)O

Isomeric SMILES

C[C@](C#N)(C1CC1)NC(=O)COC(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)O

InChI

InChI=1S/C21H20N2O4/c1-21(13-22,17-8-9-17)23-19(25)12-27-20(26)16-4-2-14(3-5-16)15-6-10-18(24)11-7-15/h2-7,10-11,17,24H,8-9,12H2,1H3,(H,23,25)/t21-/m0/s1