2-(3-methoxy-4-pentoxy-phenyl)-8-methyl-quinoline-4-carboxylic acid

Systemtic Name: 2-(3-methoxy-4-pentoxy-phenyl)-8-methyl-quinoline-4-carboxylic acid Openeye Name: 2-(3-methoxy-4-pentoxy-phenyl)-8-methyl-quinoline-4-carboxylic acid CAS Name: 2-(3-methoxy-4-pentoxyphenyl)-8-methyl-4-quinolinecarboxylic acid IUPAC Name: 2-(3-methoxy-4-pentoxyphenyl)-8-methylquinoline-4-carboxylic acid Traditional Name: 2-(4-amoxy-3-methoxy-phenyl)-8-methyl-cinchoninic acid Formula: C23H25NO4 MolecularWeight: 379.4489

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=C(C=C1)C2=NC3=C(C=CC=C3C)C(=C2)C(=O)O)OC

Isomeric SMILES

CCCCCOC1=C(C=C(C=C1)C2=NC3=C(C=CC=C3C)C(=C2)C(=O)O)OC

InChI

InChI=1S/C23H25NO4/c1-4-5-6-12-28-20-11-10-16(13-21(20)27-3)19-14-18(23(25)26)17-9-7-8-15(2)22(17)24-19/h7-11,13-14H,4-6,12H2,1-3H3,(H,25,26)