ethyl 3-(10-chloranylanthracen-9-yl)-5-(1-oxidanyl-2-phenyl-ethyl)-1,2-oxazole-4-carboxylate

Systemtic Name: ethyl 3-(10-chloranylanthracen-9-yl)-5-(1-oxidanyl-2-phenyl-ethyl)-1,2-oxazole-4-carboxylate Openeye Name: ethyl 3-(10-chloro-9-anthryl)-5-(1-hydroxy-2-phenyl-ethyl)isoxazole-4-carboxylate CAS Name: 3-(10-chloro-9-anthracenyl)-5-(1-hydroxy-2-phenylethyl)-4-isoxazolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(10-chloroanthracen-9-yl)-5-(1-hydroxy-2-phenylethyl)-1,2-oxazole-4-carboxylate Traditional Name: 3-(10-chloro-9-anthryl)-5-(1-hydroxy-2-phenyl-ethyl)isoxazole-4-carboxylic acid ethyl ester Formula: C28H22ClNO4 MolecularWeight: 471.93158

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(ON=C1C2=C3C=CC=CC3=C(C4=CC=CC=C42)Cl)C(CC5=CC=CC=C5)O

Isomeric SMILES

CCOC(=O)C1=C(ON=C1C2=C3C=CC=CC3=C(C4=CC=CC=C42)Cl)C(CC5=CC=CC=C5)O

InChI

InChI=1S/C28H22ClNO4/c1-2-33-28(32)24-26(30-34-27(24)22(31)16-17-10-4-3-5-11-17)23-18-12-6-8-14-20(18)25(29)21-15-9-7-13-19(21)23/h3-15,22,31H,2,16H2,1H3