tert-butyl 2-[4-[[ethanoyl(pyridin-2-yl)amino]methyl]phenyl]cyclohexane-1-carboxylate

Systemtic Name: tert-butyl 2-[4-[[ethanoyl(pyridin-2-yl)amino]methyl]phenyl]cyclohexane-1-carboxylate Openeye Name: tert-butyl 2-[4-[[acetyl(2-pyridyl)amino]methyl]phenyl]cyclohexanecarboxylate CAS Name: 2-[4-[[acetyl(2-pyridinyl)amino]methyl]phenyl]-1-cyclohexanecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-[[acetyl(pyridin-2-yl)amino]methyl]phenyl]cyclohexane-1-carboxylate Traditional Name: 2-[4-[[acetyl(2-pyridyl)amino]methyl]phenyl]cyclohexanecarboxylic acid tert-butyl ester Formula: C25H32N2O3 MolecularWeight: 408.53318

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(CC1=CC=C(C=C1)C2CCCCC2C(=O)OC(C)(C)C)C3=CC=CC=N3

Isomeric SMILES

CC(=O)N(CC1=CC=C(C=C1)C2CCCCC2C(=O)OC(C)(C)C)C3=CC=CC=N3

InChI

InChI=1S/C25H32N2O3/c1-18(28)27(23-11-7-8-16-26-23)17-19-12-14-20(15-13-19)21-9-5-6-10-22(21)24(29)30-25(2,3)4/h7-8,11-16,21-22H,5-6,9-10,17H2,1-4H3