tert-butyl N-[(3S)-1-[(2,6-dimethylphenyl)methyl]-2-oxidanylidene-azepan-3-yl]carbamate

Systemtic Name: tert-butyl N-[(3S)-1-[(2,6-dimethylphenyl)methyl]-2-oxidanylidene-azepan-3-yl]carbamate Openeye Name: tert-butyl N-[(3S)-1-[(2,6-dimethylphenyl)methyl]-2-oxo-azepan-3-yl]carbamate CAS Name: N-[(3S)-1-[(2,6-dimethylphenyl)methyl]-2-oxo-3-azepanyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(3S)-1-[(2,6-dimethylphenyl)methyl]-2-oxoazepan-3-yl]carbamate Traditional Name: N-[(3S)-1-(2,6-dimethylbenzyl)-2-keto-azepan-3-yl]carbamic acid tert-butyl ester Formula: C20H30N2O3 MolecularWeight: 346.4638

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)CN2CCCCC(C2=O)NC(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(C(=CC=C1)C)CN2CCCC[C@@H](C2=O)NC(=O)OC(C)(C)C

InChI

InChI=1S/C20H30N2O3/c1-14-9-8-10-15(2)16(14)13-22-12-7-6-11-17(18(22)23)21-19(24)25-20(3,4)5/h8-10,17H,6-7,11-13H2,1-5H3,(H,21,24)/t17-/m0/s1