2-(3-methoxy-2-propoxy-phenyl)-6-methyl-quinoline-4-carboxylic acid

Systemtic Name: 2-(3-methoxy-2-propoxy-phenyl)-6-methyl-quinoline-4-carboxylic acid Openeye Name: 2-(3-methoxy-2-propoxy-phenyl)-6-methyl-quinoline-4-carboxylic acid CAS Name: 2-(3-methoxy-2-propoxyphenyl)-6-methyl-4-quinolinecarboxylic acid IUPAC Name: 2-(3-methoxy-2-propoxyphenyl)-6-methylquinoline-4-carboxylic acid Traditional Name: 2-(3-methoxy-2-propoxy-phenyl)-6-methyl-cinchoninic acid Formula: C21H21NO4 MolecularWeight: 351.39574

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=CC=C1OC)C2=NC3=C(C=C(C=C3)C)C(=C2)C(=O)O

Isomeric SMILES

CCCOC1=C(C=CC=C1OC)C2=NC3=C(C=C(C=C3)C)C(=C2)C(=O)O

InChI

InChI=1S/C21H21NO4/c1-4-10-26-20-14(6-5-7-19(20)25-3)18-12-16(21(23)24)15-11-13(2)8-9-17(15)22-18/h5-9,11-12H,4,10H2,1-3H3,(H,23,24)