tert-butyl 2-[1-(2-methoxyethyl)-2-oxidanylidene-6-phenyl-azepan-3-yl]ethanoate

Systemtic Name: tert-butyl 2-[1-(2-methoxyethyl)-2-oxidanylidene-6-phenyl-azepan-3-yl]ethanoate Openeye Name: tert-butyl 2-[1-(2-methoxyethyl)-2-oxo-6-phenyl-azepan-3-yl]acetate CAS Name: 2-[1-(2-methoxyethyl)-2-oxo-6-phenyl-3-azepanyl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[1-(2-methoxyethyl)-2-oxo-6-phenylazepan-3-yl]acetate Traditional Name: 2-[2-keto-1-(2-methoxyethyl)-6-phenyl-azepan-3-yl]acetic acid tert-butyl ester Formula: C21H31NO4 MolecularWeight: 361.47514

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CC1CCC(CN(C1=O)CCOC)C2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)CC1CCC(CN(C1=O)CCOC)C2=CC=CC=C2

InChI

InChI=1S/C21H31NO4/c1-21(2,3)26-19(23)14-17-10-11-18(16-8-6-5-7-9-16)15-22(20(17)24)12-13-25-4/h5-9,17-18H,10-15H2,1-4H3