[(2R)-1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxidanylidene-propan-2-yl] 3-chloranyl-4,5-dimethoxy-benzoate

Systemtic Name: [(2R)-1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxidanylidene-propan-2-yl] 3-chloranyl-4,5-dimethoxy-benzoate Openeye Name: [(1R)-2-(indan-5-ylamino)-1-methyl-2-oxo-ethyl] 3-chloro-4,5-dimethoxy-benzoate CAS Name: 3-chloro-4,5-dimethoxybenzoic acid [(2R)-1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxopropan-2-yl] 3-chloro-4,5-dimethoxybenzoate Traditional Name: 3-chloro-4,5-dimethoxy-benzoic acid [(1R)-2-(indan-5-ylamino)-2-keto-1-methyl-ethyl] ester Formula: C21H22ClNO5 MolecularWeight: 403.85608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(CCC2)C=C1)OC(=O)C3=CC(=C(C(=C3)Cl)OC)OC

Isomeric SMILES

C[C@H](C(=O)NC1=CC2=C(CCC2)C=C1)OC(=O)C3=CC(=C(C(=C3)Cl)OC)OC

InChI

InChI=1S/C21H22ClNO5/c1-12(20(24)23-16-8-7-13-5-4-6-14(13)9-16)28-21(25)15-10-17(22)19(27-3)18(11-15)26-2/h7-12H,4-6H2,1-3H3,(H,23,24)/t12-/m1/s1