pentyl 2-(4-methoxyphenyl)-3,6,8-trimethyl-quinoline-4-carboxylate

Systemtic Name: pentyl 2-(4-methoxyphenyl)-3,6,8-trimethyl-quinoline-4-carboxylate Openeye Name: pentyl 2-(4-methoxyphenyl)-3,6,8-trimethyl-quinoline-4-carboxylate CAS Name: 2-(4-methoxyphenyl)-3,6,8-trimethyl-4-quinolinecarboxylic acid pentyl ester IUPAC Name: pentyl 2-(4-methoxyphenyl)-3,6,8-trimethylquinoline-4-carboxylate Traditional Name: 2-(4-methoxyphenyl)-3,6,8-trimethyl-cinchoninic acid amyl ester Formula: C25H29NO3 MolecularWeight: 391.50266

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1=C(C(=NC2=C(C=C(C=C12)C)C)C3=CC=C(C=C3)OC)C

Isomeric SMILES

CCCCCOC(=O)C1=C(C(=NC2=C(C=C(C=C12)C)C)C3=CC=C(C=C3)OC)C

InChI

InChI=1S/C25H29NO3/c1-6-7-8-13-29-25(27)22-18(4)24(19-9-11-20(28-5)12-10-19)26-23-17(3)14-16(2)15-21(22)23/h9-12,14-15H,6-8,13H2,1-5H3