tert-butyl 2-[7-(2,6-dimethylcyclohexyl)-3-(3-methoxyphenyl)-2-oxidanylidene-azepan-1-yl]ethanoate

Systemtic Name: tert-butyl 2-[7-(2,6-dimethylcyclohexyl)-3-(3-methoxyphenyl)-2-oxidanylidene-azepan-1-yl]ethanoate Openeye Name: tert-butyl 2-[7-(2,6-dimethylcyclohexyl)-3-(3-methoxyphenyl)-2-oxo-azepan-1-yl]acetate CAS Name: 2-[7-(2,6-dimethylcyclohexyl)-3-(3-methoxyphenyl)-2-oxo-1-azepanyl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[7-(2,6-dimethylcyclohexyl)-3-(3-methoxyphenyl)-2-oxoazepan-1-yl]acetate Traditional Name: 2-[7-(2,6-dimethylcyclohexyl)-2-keto-3-(3-methoxyphenyl)azepan-1-yl]acetic acid tert-butyl ester Formula: C27H41NO4 MolecularWeight: 443.61874

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C2CCCC(C(=O)N2CC(=O)OC(C)(C)C)C3=CC(=CC=C3)OC)C

Isomeric SMILES

CC1CCCC(C1C2CCCC(C(=O)N2CC(=O)OC(C)(C)C)C3=CC(=CC=C3)OC)C

InChI

InChI=1S/C27H41NO4/c1-18-10-7-11-19(2)25(18)23-15-9-14-22(20-12-8-13-21(16-20)31-6)26(30)28(23)17-24(29)32-27(3,4)5/h8,12-13,16,18-19,22-23,25H,7,9-11,14-15,17H2,1-6H3