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

Systemtic Name: 3-(azepan-1-yl)-2-(3,4-dimethylphenyl)quinoline-4-carboxylate Openeye Name: 3-(azepan-1-yl)-2-(3,4-dimethylphenyl)quinoline-4-carboxylate CAS Name: 3-(1-azepanyl)-2-(3,4-dimethylphenyl)-4-quinolinecarboxylate IUPAC Name: 3-(azepan-1-yl)-2-(3,4-dimethylphenyl)quinoline-4-carboxylate Traditional Name: 3-(azepan-1-yl)-2-(3,4-dimethylphenyl)cinchoninate Formula: C24H25N2O2- MolecularWeight: 373.4675

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2N4CCCCCC4)C(=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2N4CCCCCC4)C(=O)[O-])C

InChI

InChI=1S/C24H26N2O2/c1-16-11-12-18(15-17(16)2)22-23(26-13-7-3-4-8-14-26)21(24(27)28)19-9-5-6-10-20(19)25-22/h5-6,9-12,15H,3-4,7-8,13-14H2,1-2H3,(H,27,28)/p-1