[2-oxidanylidene-2-[[(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl]amino]ethyl] 4-propoxybenzoate

Systemtic Name: [2-oxidanylidene-2-[[(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl]amino]ethyl] 4-propoxybenzoate Openeye Name: [2-[[(1S)-1-methyl-2-oxo-2-(propylamino)ethyl]amino]-2-oxo-ethyl] 4-propoxybenzoate CAS Name: 4-propoxybenzoic acid [2-oxo-2-[[(2S)-1-oxo-1-(propylamino)propan-2-yl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[(2S)-1-oxo-1-(propylamino)propan-2-yl]amino]ethyl] 4-propoxybenzoate Traditional Name: 4-propoxybenzoic acid [2-keto-2-[[(1S)-2-keto-1-methyl-2-(propylamino)ethyl]amino]ethyl] ester Formula: C18H26N2O5 MolecularWeight: 350.40944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)NC(=O)COC(=O)C1=CC=C(C=C1)OCCC

Isomeric SMILES

CCCNC(=O)[C@H](C)NC(=O)COC(=O)C1=CC=C(C=C1)OCCC

InChI

InChI=1S/C18H26N2O5/c1-4-10-19-17(22)13(3)20-16(21)12-25-18(23)14-6-8-15(9-7-14)24-11-5-2/h6-9,13H,4-5,10-12H2,1-3H3,(H,19,22)(H,20,21)/t13-/m0/s1