tert-butyl 2-[3-azanyl-7-(cyclohexylmethyl)-2-oxidanylidene-5-phenyl-azepan-1-yl]ethanoate

Systemtic Name: tert-butyl 2-[3-azanyl-7-(cyclohexylmethyl)-2-oxidanylidene-5-phenyl-azepan-1-yl]ethanoate Openeye Name: tert-butyl 2-[3-amino-7-(cyclohexylmethyl)-2-oxo-5-phenyl-azepan-1-yl]acetate CAS Name: 2-[3-amino-7-(cyclohexylmethyl)-2-oxo-5-phenyl-1-azepanyl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[3-amino-7-(cyclohexylmethyl)-2-oxo-5-phenylazepan-1-yl]acetate Traditional Name: 2-[3-amino-7-(cyclohexylmethyl)-2-keto-5-phenyl-azepan-1-yl]acetic acid tert-butyl ester Formula: C25H38N2O3 MolecularWeight: 414.58082

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN1C(CC(CC(C1=O)N)C2=CC=CC=C2)CC3CCCCC3

Isomeric SMILES

CC(C)(C)OC(=O)CN1C(CC(CC(C1=O)N)C2=CC=CC=C2)CC3CCCCC3

InChI

InChI=1S/C25H38N2O3/c1-25(2,3)30-23(28)17-27-21(14-18-10-6-4-7-11-18)15-20(16-22(26)24(27)29)19-12-8-5-9-13-19/h5,8-9,12-13,18,20-22H,4,6-7,10-11,14-17,26H2,1-3H3