[9,10-bis(oxidanylidene)anthracen-2-yl]methyl (2R,3S)-3-benzamido-2-oxidanyl-3-phenyl-propanoate

Systemtic Name: [9,10-bis(oxidanylidene)anthracen-2-yl]methyl (2R,3S)-3-benzamido-2-oxidanyl-3-phenyl-propanoate Openeye Name: (9,10-dioxo-2-anthryl)methyl (2R,3S)-3-benzamido-2-hydroxy-3-phenyl-propanoate CAS Name: (2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoic acid (9,10-dioxo-2-anthracenyl)methyl ester IUPAC Name: (9,10-dioxoanthracen-2-yl)methyl (2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoate Traditional Name: (2R,3S)-3-benzamido-2-hydroxy-3-phenyl-propionic acid (9,10-diketo-2-anthryl)methyl ester Formula: C31H23NO6 MolecularWeight: 505.51742

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(C(=O)OCC2=CC3=C(C=C2)C(=O)C4=CC=CC=C4C3=O)O)NC(=O)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)[C@@H]([C@H](C(=O)OCC2=CC3=C(C=C2)C(=O)C4=CC=CC=C4C3=O)O)NC(=O)C5=CC=CC=C5

InChI

InChI=1S/C31H23NO6/c33-27-22-13-7-8-14-23(22)28(34)25-17-19(15-16-24(25)27)18-38-31(37)29(35)26(20-9-3-1-4-10-20)32-30(36)21-11-5-2-6-12-21/h1-17,26,29,35H,18H2,(H,32,36)/t26-,29+/m0/s1