ethyl 1-[(6-ethyl-2-oxidanylidene-1H-quinolin-3-yl)-(1-phenethyl-1,2,3,4-tetrazol-5-yl)methyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[(6-ethyl-2-oxidanylidene-1H-quinolin-3-yl)-(1-phenethyl-1,2,3,4-tetrazol-5-yl)methyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)-(1-phenethyltetrazol-5-yl)methyl]piperidine-4-carboxylate CAS Name: 1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)-(1-phenethyl-5-tetrazolyl)methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)-(1-phenethyltetrazol-5-yl)methyl]piperidine-4-carboxylate Traditional Name: 1-[(6-ethyl-2-keto-1H-quinolin-3-yl)-(1-phenethyltetrazol-5-yl)methyl]isonipecotic acid ethyl ester Formula: C29H34N6O3 MolecularWeight: 514.61866

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)NC(=O)C(=C2)C(C3=NN=NN3CCC4=CC=CC=C4)N5CCC(CC5)C(=O)OCC

Isomeric SMILES

CCC1=CC2=C(C=C1)NC(=O)C(=C2)C(C3=NN=NN3CCC4=CC=CC=C4)N5CCC(CC5)C(=O)OCC

InChI

InChI=1S/C29H34N6O3/c1-3-20-10-11-25-23(18-20)19-24(28(36)30-25)26(34-15-13-22(14-16-34)29(37)38-4-2)27-31-32-33-35(27)17-12-21-8-6-5-7-9-21/h5-11,18-19,22,26H,3-4,12-17H2,1-2H3,(H,30,36)