cyclohexylmethyl 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate

Systemtic Name: cyclohexylmethyl 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate Openeye Name: cyclohexylmethyl 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate CAS Name: 2-(3,4-dimethoxyphenyl)-4-quinolinecarboxylic acid cyclohexylmethyl ester IUPAC Name: cyclohexylmethyl 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate Traditional Name: 2-(3,4-dimethoxyphenyl)cinchoninic acid cyclohexylmethyl ester Formula: C25H27NO4 MolecularWeight: 405.48618

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC4CCCCC4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC4CCCCC4)OC

InChI

InChI=1S/C25H27NO4/c1-28-23-13-12-18(14-24(23)29-2)22-15-20(19-10-6-7-11-21(19)26-22)25(27)30-16-17-8-4-3-5-9-17/h6-7,10-15,17H,3-5,8-9,16H2,1-2H3