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

Systemtic Name: [1-[[9,10-bis(oxidanylidene)anthracen-2-yl]amino]-1-oxidanylidene-propan-2-yl] 3-phenylbutanoate Openeye Name: [2-[(9,10-dioxo-2-anthryl)amino]-1-methyl-2-oxo-ethyl] 3-phenylbutanoate CAS Name: 3-phenylbutanoic acid [1-[(9,10-dioxo-2-anthracenyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(9,10-dioxoanthracen-2-yl)amino]-1-oxopropan-2-yl] 3-phenylbutanoate Traditional Name: 3-phenylbutyric acid [2-[(9,10-diketo-2-anthryl)amino]-2-keto-1-methyl-ethyl] ester Formula: C27H23NO5 MolecularWeight: 441.47522

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)OC(C)C(=O)NC1=CC2=C(C=C1)C(=O)C3=CC=CC=C3C2=O)C4=CC=CC=C4

Isomeric SMILES

CC(CC(=O)OC(C)C(=O)NC1=CC2=C(C=C1)C(=O)C3=CC=CC=C3C2=O)C4=CC=CC=C4

InChI

InChI=1S/C27H23NO5/c1-16(18-8-4-3-5-9-18)14-24(29)33-17(2)27(32)28-19-12-13-22-23(15-19)26(31)21-11-7-6-10-20(21)25(22)30/h3-13,15-17H,14H2,1-2H3,(H,28,32)