[(2R)-3-(4-azanyl-3,5-dimethyl-phenyl)-1-methoxy-1-oxidanylidene-propan-2-yl] 4-chloranylbenzoate

Systemtic Name: [(2R)-3-(4-azanyl-3,5-dimethyl-phenyl)-1-methoxy-1-oxidanylidene-propan-2-yl] 4-chloranylbenzoate Openeye Name: [(1R)-1-[(4-amino-3,5-dimethyl-phenyl)methyl]-2-methoxy-2-oxo-ethyl] 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid [(2R)-3-(4-amino-3,5-dimethylphenyl)-1-methoxy-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-3-(4-amino-3,5-dimethylphenyl)-1-methoxy-1-oxopropan-2-yl] 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid [(1R)-1-(4-amino-3,5-dimethyl-benzyl)-2-keto-2-methoxy-ethyl] ester Formula: C19H20ClNO4 MolecularWeight: 361.8194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1N)C)CC(C(=O)OC)OC(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CC1=CC(=CC(=C1N)C)C[C@H](C(=O)OC)OC(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C19H20ClNO4/c1-11-8-13(9-12(2)17(11)21)10-16(19(23)24-3)25-18(22)14-4-6-15(20)7-5-14/h4-9,16H,10,21H2,1-3H3/t16-/m1/s1