ethyl 1-[4-(benzotriazol-1-ylmethyl)phenyl]carbonylpiperidine-3-carboxylate

Systemtic Name: ethyl 1-[4-(benzotriazol-1-ylmethyl)phenyl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[4-(benzotriazol-1-ylmethyl)benzoyl]piperidine-3-carboxylate CAS Name: 1-[[4-(1-benzotriazolylmethyl)phenyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-(benzotriazol-1-ylmethyl)benzoyl]piperidine-3-carboxylate Traditional Name: 1-[4-(benzotriazol-1-ylmethyl)benzoyl]nipecotic acid ethyl ester Formula: C22H24N4O3 MolecularWeight: 392.45096

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=CC=C(C=C2)CN3C4=CC=CC=C4N=N3

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C2=CC=C(C=C2)CN3C4=CC=CC=C4N=N3

InChI

InChI=1S/C22H24N4O3/c1-2-29-22(28)18-6-5-13-25(15-18)21(27)17-11-9-16(10-12-17)14-26-20-8-4-3-7-19(20)23-24-26/h3-4,7-12,18H,2,5-6,13-15H2,1H3