[2-[[(2S)-heptan-2-yl]amino]-2-oxidanylidene-ethyl] 4-(dimethylamino)benzoate

Systemtic Name: [2-[[(2S)-heptan-2-yl]amino]-2-oxidanylidene-ethyl] 4-(dimethylamino)benzoate Openeye Name: [2-[[(1S)-1-methylhexyl]amino]-2-oxo-ethyl] 4-(dimethylamino)benzoate CAS Name: 4-(dimethylamino)benzoic acid [2-[[(2S)-heptan-2-yl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2S)-heptan-2-yl]amino]-2-oxoethyl] 4-(dimethylamino)benzoate Traditional Name: 4-(dimethylamino)benzoic acid [2-keto-2-[[(1S)-1-methylhexyl]amino]ethyl] ester Formula: C18H28N2O3 MolecularWeight: 320.42652

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)NC(=O)COC(=O)C1=CC=C(C=C1)N(C)C

Isomeric SMILES

CCCCC[C@H](C)NC(=O)COC(=O)C1=CC=C(C=C1)N(C)C

InChI

InChI=1S/C18H28N2O3/c1-5-6-7-8-14(2)19-17(21)13-23-18(22)15-9-11-16(12-10-15)20(3)4/h9-12,14H,5-8,13H2,1-4H3,(H,19,21)/t14-/m0/s1