[(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl] 2-(furan-2-ylmethylamino)benzoate

Systemtic Name: [(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl] 2-(furan-2-ylmethylamino)benzoate Openeye Name: [(1S)-1-methyl-2-oxo-2-(propylamino)ethyl] 2-(2-furylmethylamino)benzoate CAS Name: 2-(2-furanylmethylamino)benzoic acid [(2S)-1-oxo-1-(propylamino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(propylamino)propan-2-yl] 2-(furan-2-ylmethylamino)benzoate Traditional Name: 2-(2-furfurylamino)benzoic acid [(1S)-2-keto-1-methyl-2-(propylamino)ethyl] ester Formula: C18H22N2O4 MolecularWeight: 330.37828

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)OC(=O)C1=CC=CC=C1NCC2=CC=CO2

Isomeric SMILES

CCCNC(=O)[C@H](C)OC(=O)C1=CC=CC=C1NCC2=CC=CO2

InChI

InChI=1S/C18H22N2O4/c1-3-10-19-17(21)13(2)24-18(22)15-8-4-5-9-16(15)20-12-14-7-6-11-23-14/h4-9,11,13,20H,3,10,12H2,1-2H3,(H,19,21)/t13-/m0/s1