[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxidanylidene-ethyl] anthracene-9-carboxylate

Systemtic Name: [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxidanylidene-ethyl] anthracene-9-carboxylate Openeye Name: [2-[[(1S)-1-methylpropyl]carbamoylamino]-2-oxo-ethyl] anthracene-9-carboxylate CAS Name: 9-anthracenecarboxylic acid [2-[[[[(2S)-butan-2-yl]amino]-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] anthracene-9-carboxylate Traditional Name: anthracene-9-carboxylic acid [2-keto-2-[[(1S)-1-methylpropyl]carbamoylamino]ethyl] ester Formula: C22H22N2O4 MolecularWeight: 378.42108

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)NC(=O)COC(=O)C1=C2C=CC=CC2=CC3=CC=CC=C31

Isomeric SMILES

CC[C@H](C)NC(=O)NC(=O)COC(=O)C1=C2C=CC=CC2=CC3=CC=CC=C31

InChI

InChI=1S/C22H22N2O4/c1-3-14(2)23-22(27)24-19(25)13-28-21(26)20-17-10-6-4-8-15(17)12-16-9-5-7-11-18(16)20/h4-12,14H,3,13H2,1-2H3,(H2,23,24,25,27)/t14-/m0/s1