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

Systemtic Name: [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxidanylidene-ethyl] 9H-xanthene-9-carboxylate Openeye Name: [2-[[(1S)-1-methylpropyl]carbamoylamino]-2-oxo-ethyl] 9H-xanthene-9-carboxylate CAS Name: 9H-xanthene-9-carboxylic acid [2-[[[[(2S)-butan-2-yl]amino]-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 9H-xanthene-9-carboxylate Traditional Name: 9H-xanthene-9-carboxylic acid [2-keto-2-[[(1S)-1-methylpropyl]carbamoylamino]ethyl] ester Formula: C21H22N2O5 MolecularWeight: 382.40978

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)NC(=O)COC(=O)C1C2=CC=CC=C2OC3=CC=CC=C13

Isomeric SMILES

CC[C@H](C)NC(=O)NC(=O)COC(=O)C1C2=CC=CC=C2OC3=CC=CC=C13

InChI

InChI=1S/C21H22N2O5/c1-3-13(2)22-21(26)23-18(24)12-27-20(25)19-14-8-4-6-10-16(14)28-17-11-7-5-9-15(17)19/h4-11,13,19H,3,12H2,1-2H3,(H2,22,23,24,26)/t13-/m0/s1