ethyl 1-[[5-(3-methoxyphenyl)-1-phenyl-1,2,4-triazol-3-yl]carbonyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[[5-(3-methoxyphenyl)-1-phenyl-1,2,4-triazol-3-yl]carbonyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[5-(3-methoxyphenyl)-1-phenyl-1,2,4-triazole-3-carbonyl]piperidine-3-carboxylate CAS Name: 1-[[5-(3-methoxyphenyl)-1-phenyl-1,2,4-triazol-3-yl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[5-(3-methoxyphenyl)-1-phenyl-1,2,4-triazole-3-carbonyl]piperidine-3-carboxylate Traditional Name: 1-[5-(3-methoxyphenyl)-1-phenyl-1,2,4-triazole-3-carbonyl]nipecotic acid ethyl ester Formula: C24H26N4O4 MolecularWeight: 434.48764

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=NN(C(=N2)C3=CC(=CC=C3)OC)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C2=NN(C(=N2)C3=CC(=CC=C3)OC)C4=CC=CC=C4

InChI

InChI=1S/C24H26N4O4/c1-3-32-24(30)18-10-8-14-27(16-18)23(29)21-25-22(17-9-7-13-20(15-17)31-2)28(26-21)19-11-5-4-6-12-19/h4-7,9,11-13,15,18H,3,8,10,14,16H2,1-2H3