2-(2-butoxynaphthalen-1-yl)-8-methyl-quinoline-4-carboxylate

Systemtic Name: 2-(2-butoxynaphthalen-1-yl)-8-methyl-quinoline-4-carboxylate Openeye Name: 2-(2-butoxy-1-naphthyl)-8-methyl-quinoline-4-carboxylate CAS Name: 2-(2-butoxy-1-naphthalenyl)-8-methyl-4-quinolinecarboxylate IUPAC Name: 2-(2-butoxynaphthalen-1-yl)-8-methylquinoline-4-carboxylate Traditional Name: 2-(2-butoxy-1-naphthyl)-8-methyl-cinchoninate Formula: C25H22NO3- MolecularWeight: 384.44708

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C2=CC=CC=C2C=C1)C3=NC4=C(C=CC=C4C)C(=C3)C(=O)[O-]

Isomeric SMILES

CCCCOC1=C(C2=CC=CC=C2C=C1)C3=NC4=C(C=CC=C4C)C(=C3)C(=O)[O-]

InChI

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