[(2R)-1-[(4-morpholin-4-ylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-cyanobenzoate

Systemtic Name: [(2R)-1-[(4-morpholin-4-ylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-cyanobenzoate Openeye Name: [(1R)-1-methyl-2-(4-morpholinoanilino)-2-oxo-ethyl] 3-cyanobenzoate CAS Name: 3-cyanobenzoic acid [(2R)-1-[4-(4-morpholinyl)anilino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 3-cyanobenzoate Traditional Name: 3-cyanobenzoic acid [(1R)-2-keto-1-methyl-2-(4-morpholinoanilino)ethyl] ester Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)N2CCOCC2)OC(=O)C3=CC=CC(=C3)C#N

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)N2CCOCC2)OC(=O)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C21H21N3O4/c1-15(28-21(26)17-4-2-3-16(13-17)14-22)20(25)23-18-5-7-19(8-6-18)24-9-11-27-12-10-24/h2-8,13,15H,9-12H2,1H3,(H,23,25)/t15-/m1/s1