[2-[(1-cyano-1-cyclopropyl-ethyl)amino]-2-oxidanylidene-ethyl] 3-phenylmethoxybenzoate

Systemtic Name: [2-[(1-cyano-1-cyclopropyl-ethyl)amino]-2-oxidanylidene-ethyl] 3-phenylmethoxybenzoate Openeye Name: [2-[(1-cyano-1-cyclopropyl-ethyl)amino]-2-oxo-ethyl] 3-benzyloxybenzoate CAS Name: 3-phenylmethoxybenzoic acid [2-[(1-cyano-1-cyclopropylethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyano-1-cyclopropylethyl)amino]-2-oxoethyl] 3-phenylmethoxybenzoate Traditional Name: 3-benzoxybenzoic acid [2-[(1-cyano-1-cyclopropyl-ethyl)amino]-2-keto-ethyl] ester Formula: C22H22N2O4 MolecularWeight: 378.42108

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)(C1CC1)NC(=O)COC(=O)C2=CC(=CC=C2)OCC3=CC=CC=C3

Isomeric SMILES

CC(C#N)(C1CC1)NC(=O)COC(=O)C2=CC(=CC=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C22H22N2O4/c1-22(15-23,18-10-11-18)24-20(25)14-28-21(26)17-8-5-9-19(12-17)27-13-16-6-3-2-4-7-16/h2-9,12,18H,10-11,13-14H2,1H3,(H,24,25)