[2-[(3-chloranyl-4-methoxy-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 9H-xanthene-9-carboxylate

Systemtic Name: [2-[(3-chloranyl-4-methoxy-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 9H-xanthene-9-carboxylate Openeye Name: [2-(3-chloro-4-methoxy-anilino)-2-oxo-1-phenyl-ethyl] 9H-xanthene-9-carboxylate CAS Name: 9H-xanthene-9-carboxylic acid [2-(3-chloro-4-methoxyanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(3-chloro-4-methoxyanilino)-2-oxo-1-phenylethyl] 9H-xanthene-9-carboxylate Traditional Name: 9H-xanthene-9-carboxylic acid [2-(3-chloro-4-methoxy-anilino)-2-keto-1-phenyl-ethyl] ester Formula: C29H22ClNO5 MolecularWeight: 499.94168

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C(C2=CC=CC=C2)OC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C(C2=CC=CC=C2)OC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35)Cl

InChI

InChI=1S/C29H22ClNO5/c1-34-25-16-15-19(17-22(25)30)31-28(32)27(18-9-3-2-4-10-18)36-29(33)26-20-11-5-7-13-23(20)35-24-14-8-6-12-21(24)26/h2-17,26-27H,1H3,(H,31,32)