2-[3-methoxy-4-(3-phenylpropoxy)phenyl]-8-methyl-quinoline-4-carboxylic acid

Systemtic Name: 2-[3-methoxy-4-(3-phenylpropoxy)phenyl]-8-methyl-quinoline-4-carboxylic acid Openeye Name: 2-[3-methoxy-4-(3-phenylpropoxy)phenyl]-8-methyl-quinoline-4-carboxylic acid CAS Name: 2-[3-methoxy-4-(3-phenylpropoxy)phenyl]-8-methyl-4-quinolinecarboxylic acid IUPAC Name: 2-[3-methoxy-4-(3-phenylpropoxy)phenyl]-8-methylquinoline-4-carboxylic acid Traditional Name: 2-[3-methoxy-4-(3-phenylpropoxy)phenyl]-8-methyl-cinchoninic acid Formula: C27H25NO4 MolecularWeight: 427.4917

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=C(C=C2C(=O)O)C3=CC(=C(C=C3)OCCCC4=CC=CC=C4)OC

Isomeric SMILES

CC1=CC=CC2=C1N=C(C=C2C(=O)O)C3=CC(=C(C=C3)OCCCC4=CC=CC=C4)OC

InChI

InChI=1S/C27H25NO4/c1-18-8-6-12-21-22(27(29)30)17-23(28-26(18)21)20-13-14-24(25(16-20)31-2)32-15-7-11-19-9-4-3-5-10-19/h3-6,8-10,12-14,16-17H,7,11,15H2,1-2H3,(H,29,30)