[2-(4-tert-butylphenyl)-6-chloranyl-4-oxidanylidene-chromen-3-yl] 2-methylquinoline-4-carboxylate

Systemtic Name: [2-(4-tert-butylphenyl)-6-chloranyl-4-oxidanylidene-chromen-3-yl] 2-methylquinoline-4-carboxylate Openeye Name: [2-(4-tert-butylphenyl)-6-chloro-4-oxo-chromen-3-yl] 2-methylquinoline-4-carboxylate CAS Name: 2-methyl-4-quinolinecarboxylic acid [2-(4-tert-butylphenyl)-6-chloro-4-oxo-1-benzopyran-3-yl] ester IUPAC Name: [2-(4-tert-butylphenyl)-6-chloro-4-oxochromen-3-yl] 2-methylquinoline-4-carboxylate Traditional Name: 2-methylcinchoninic acid [2-(4-tert-butylphenyl)-6-chloro-4-keto-chromen-3-yl] ester Formula: C30H24ClNO4 MolecularWeight: 497.96886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1)C(=O)OC3=C(OC4=C(C3=O)C=C(C=C4)Cl)C5=CC=C(C=C5)C(C)(C)C

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1)C(=O)OC3=C(OC4=C(C3=O)C=C(C=C4)Cl)C5=CC=C(C=C5)C(C)(C)C

InChI

InChI=1S/C30H24ClNO4/c1-17-15-22(21-7-5-6-8-24(21)32-17)29(34)36-28-26(33)23-16-20(31)13-14-25(23)35-27(28)18-9-11-19(12-10-18)30(2,3)4/h5-16H,1-4H3