ethyl 1-[[3-(benzotriazol-2-yl)-4-methyl-2-oxidanyl-phenyl]methyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[[3-(benzotriazol-2-yl)-4-methyl-2-oxidanyl-phenyl]methyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[[3-(benzotriazol-2-yl)-2-hydroxy-4-methyl-phenyl]methyl]piperidine-3-carboxylate CAS Name: 1-[[3-(2-benzotriazolyl)-2-hydroxy-4-methylphenyl]methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[3-(benzotriazol-2-yl)-2-hydroxy-4-methylphenyl]methyl]piperidine-3-carboxylate Traditional Name: 1-[3-(benzotriazol-2-yl)-2-hydroxy-4-methyl-benzyl]nipecotic acid ethyl ester Formula: C22H26N4O3 MolecularWeight: 394.46684

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)CC2=C(C(=C(C=C2)C)N3N=C4C=CC=CC4=N3)O

Isomeric SMILES

CCOC(=O)C1CCCN(C1)CC2=C(C(=C(C=C2)C)N3N=C4C=CC=CC4=N3)O

InChI

InChI=1S/C22H26N4O3/c1-3-29-22(28)17-7-6-12-25(14-17)13-16-11-10-15(2)20(21(16)27)26-23-18-8-4-5-9-19(18)24-26/h4-5,8-11,17,27H,3,6-7,12-14H2,1-2H3