2-(2-butoxynaphthalen-1-yl)-6-methyl-quinoline-4-carboxylic acid

Systemtic Name: 2-(2-butoxynaphthalen-1-yl)-6-methyl-quinoline-4-carboxylic acid Openeye Name: 2-(2-butoxy-1-naphthyl)-6-methyl-quinoline-4-carboxylic acid CAS Name: 2-(2-butoxy-1-naphthalenyl)-6-methyl-4-quinolinecarboxylic acid IUPAC Name: 2-(2-butoxynaphthalen-1-yl)-6-methylquinoline-4-carboxylic acid Traditional Name: 2-(2-butoxy-1-naphthyl)-6-methyl-cinchoninic acid Formula: C25H23NO3 MolecularWeight: 385.45502

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C2=CC=CC=C2C=C1)C3=NC4=C(C=C(C=C4)C)C(=C3)C(=O)O

Isomeric SMILES

CCCCOC1=C(C2=CC=CC=C2C=C1)C3=NC4=C(C=C(C=C4)C)C(=C3)C(=O)O

InChI

InChI=1S/C25H23NO3/c1-3-4-13-29-23-12-10-17-7-5-6-8-18(17)24(23)22-15-20(25(27)28)19-14-16(2)9-11-21(19)26-22/h5-12,14-15H,3-4,13H2,1-2H3,(H,27,28)