[1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate

Systemtic Name: [1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate Openeye Name: [2-(azepan-1-yl)-1-methyl-2-oxo-ethyl] 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate CAS Name: 2-(3,4-dimethoxyphenyl)-4-quinolinecarboxylic acid [1-(1-azepanyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(azepan-1-yl)-1-oxopropan-2-yl] 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate Traditional Name: 2-(3,4-dimethoxyphenyl)cinchoninic acid [2-(azepan-1-yl)-2-keto-1-methyl-ethyl] ester Formula: C27H30N2O5 MolecularWeight: 462.5375

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)OC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC(C(=O)N1CCCCCC1)OC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C27H30N2O5/c1-18(26(30)29-14-8-4-5-9-15-29)34-27(31)21-17-23(28-22-11-7-6-10-20(21)22)19-12-13-24(32-2)25(16-19)33-3/h6-7,10-13,16-18H,4-5,8-9,14-15H2,1-3H3