[1-oxidanylidene-1-(4-phenylbutan-2-ylamino)propan-2-yl] 1-chloranyl-9,10-bis(oxidanylidene)anthracene-2-carboxylate

Systemtic Name: [1-oxidanylidene-1-(4-phenylbutan-2-ylamino)propan-2-yl] 1-chloranyl-9,10-bis(oxidanylidene)anthracene-2-carboxylate Openeye Name: [1-methyl-2-[(1-methyl-3-phenyl-propyl)amino]-2-oxo-ethyl] 1-chloro-9,10-dioxo-anthracene-2-carboxylate CAS Name: 1-chloro-9,10-dioxo-2-anthracenecarboxylic acid [1-oxo-1-(4-phenylbutan-2-ylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(4-phenylbutan-2-ylamino)propan-2-yl] 1-chloro-9,10-dioxoanthracene-2-carboxylate Traditional Name: 1-chloro-9,10-diketo-anthracene-2-carboxylic acid [2-keto-1-methyl-2-[(1-methyl-3-phenyl-propyl)amino]ethyl] ester Formula: C28H24ClNO5 MolecularWeight: 489.94686

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)NC(=O)C(C)OC(=O)C2=C(C3=C(C=C2)C(=O)C4=CC=CC=C4C3=O)Cl

Isomeric SMILES

CC(CCC1=CC=CC=C1)NC(=O)C(C)OC(=O)C2=C(C3=C(C=C2)C(=O)C4=CC=CC=C4C3=O)Cl

InChI

InChI=1S/C28H24ClNO5/c1-16(12-13-18-8-4-3-5-9-18)30-27(33)17(2)35-28(34)22-15-14-21-23(24(22)29)26(32)20-11-7-6-10-19(20)25(21)31/h3-11,14-17H,12-13H2,1-2H3,(H,30,33)