[(2S)-1-[[9,10-bis(oxidanylidene)anthracen-1-yl]amino]-1-oxidanylidene-propan-2-yl] 3-phenoxypropanoate

Systemtic Name: [(2S)-1-[[9,10-bis(oxidanylidene)anthracen-1-yl]amino]-1-oxidanylidene-propan-2-yl] 3-phenoxypropanoate Openeye Name: [(1S)-2-[(9,10-dioxo-1-anthryl)amino]-1-methyl-2-oxo-ethyl] 3-phenoxypropanoate CAS Name: 3-phenoxypropanoic acid [(2S)-1-[(9,10-dioxo-1-anthracenyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[(9,10-dioxoanthracen-1-yl)amino]-1-oxopropan-2-yl] 3-phenoxypropanoate Traditional Name: 3-phenoxypropionic acid [(1S)-2-[(9,10-diketo-1-anthryl)amino]-2-keto-1-methyl-ethyl] ester Formula: C26H21NO6 MolecularWeight: 443.44804

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC2=C1C(=O)C3=CC=CC=C3C2=O)OC(=O)CCOC4=CC=CC=C4

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC2=C1C(=O)C3=CC=CC=C3C2=O)OC(=O)CCOC4=CC=CC=C4

InChI

InChI=1S/C26H21NO6/c1-16(33-22(28)14-15-32-17-8-3-2-4-9-17)26(31)27-21-13-7-12-20-23(21)25(30)19-11-6-5-10-18(19)24(20)29/h2-13,16H,14-15H2,1H3,(H,27,31)/t16-/m0/s1