heptyl 2-(4-methoxyphenyl)-6-methyl-quinoline-4-carboxylate

Systemtic Name: heptyl 2-(4-methoxyphenyl)-6-methyl-quinoline-4-carboxylate Openeye Name: heptyl 2-(4-methoxyphenyl)-6-methyl-quinoline-4-carboxylate CAS Name: 2-(4-methoxyphenyl)-6-methyl-4-quinolinecarboxylic acid heptyl ester IUPAC Name: heptyl 2-(4-methoxyphenyl)-6-methylquinoline-4-carboxylate Traditional Name: 2-(4-methoxyphenyl)-6-methyl-cinchoninic acid heptyl ester Formula: C25H29NO3 MolecularWeight: 391.50266

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC(=O)C1=CC(=NC2=C1C=C(C=C2)C)C3=CC=C(C=C3)OC

Isomeric SMILES

CCCCCCCOC(=O)C1=CC(=NC2=C1C=C(C=C2)C)C3=CC=C(C=C3)OC

InChI

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