2-(3,4-dimethylphenyl)-3-piperidin-1-yl-quinoline-4-carboxylate

Systemtic Name: 2-(3,4-dimethylphenyl)-3-piperidin-1-yl-quinoline-4-carboxylate Openeye Name: 2-(3,4-dimethylphenyl)-3-(1-piperidyl)quinoline-4-carboxylate CAS Name: 2-(3,4-dimethylphenyl)-3-(1-piperidinyl)-4-quinolinecarboxylate IUPAC Name: 2-(3,4-dimethylphenyl)-3-piperidin-1-ylquinoline-4-carboxylate Traditional Name: 2-(3,4-dimethylphenyl)-3-piperidino-cinchoninate Formula: C23H23N2O2- MolecularWeight: 359.44092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2N4CCCCC4)C(=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2N4CCCCC4)C(=O)[O-])C

InChI

InChI=1S/C23H24N2O2/c1-15-10-11-17(14-16(15)2)21-22(25-12-6-3-7-13-25)20(23(26)27)18-8-4-5-9-19(18)24-21/h4-5,8-11,14H,3,6-7,12-13H2,1-2H3,(H,26,27)/p-1