ethyl 1-[5,8-dimethoxy-3-[[[(3S)-2-oxidanylideneazepan-3-yl]amino]methyl]quinolin-2-yl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[5,8-dimethoxy-3-[[[(3S)-2-oxidanylideneazepan-3-yl]amino]methyl]quinolin-2-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[5,8-dimethoxy-3-[[[(3S)-2-oxoazepan-3-yl]amino]methyl]-2-quinolyl]piperidine-4-carboxylate CAS Name: 1-[5,8-dimethoxy-3-[[[(3S)-2-oxo-3-azepanyl]amino]methyl]-2-quinolinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[5,8-dimethoxy-3-[[[(3S)-2-oxoazepan-3-yl]amino]methyl]quinolin-2-yl]piperidine-4-carboxylate Traditional Name: 1-[3-[[[(3S)-2-ketoazepan-3-yl]amino]methyl]-5,8-dimethoxy-2-quinolyl]isonipecotic acid ethyl ester Formula: C26H36N4O5 MolecularWeight: 484.58784

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=NC3=C(C=CC(=C3C=C2CNC4CCCCNC4=O)OC)OC

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=NC3=C(C=CC(=C3C=C2CN[C@H]4CCCCNC4=O)OC)OC

InChI

InChI=1S/C26H36N4O5/c1-4-35-26(32)17-10-13-30(14-11-17)24-18(16-28-20-7-5-6-12-27-25(20)31)15-19-21(33-2)8-9-22(34-3)23(19)29-24/h8-9,15,17,20,28H,4-7,10-14,16H2,1-3H3,(H,27,31)/t20-/m0/s1