6-butoxy-3-phenylmethoxy-quinoline-2-carboxylic acid

Systemtic Name: 6-butoxy-3-phenylmethoxy-quinoline-2-carboxylic acid Openeye Name: 3-benzyloxy-6-butoxy-quinoline-2-carboxylic acid CAS Name: 6-butoxy-3-phenylmethoxy-2-quinolinecarboxylic acid IUPAC Name: 6-butoxy-3-phenylmethoxyquinoline-2-carboxylic acid Traditional Name: 3-benzoxy-6-butoxy-quinaldic acid Formula: C21H21NO4 MolecularWeight: 351.39574

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC2=CC(=C(N=C2C=C1)C(=O)O)OCC3=CC=CC=C3

Isomeric SMILES

CCCCOC1=CC2=CC(=C(N=C2C=C1)C(=O)O)OCC3=CC=CC=C3

InChI

InChI=1S/C21H21NO4/c1-2-3-11-25-17-9-10-18-16(12-17)13-19(20(22-18)21(23)24)26-14-15-7-5-4-6-8-15/h4-10,12-13H,2-3,11,14H2,1H3,(H,23,24)