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

Systemtic Name: tert-butyl 2-[1-(cyclopropylmethyl)-2-oxidanylidene-6-phenyl-azepan-3-yl]ethanoate Openeye Name: tert-butyl 2-[1-(cyclopropylmethyl)-2-oxo-6-phenyl-azepan-3-yl]acetate CAS Name: 2-[1-(cyclopropylmethyl)-2-oxo-6-phenyl-3-azepanyl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[1-(cyclopropylmethyl)-2-oxo-6-phenylazepan-3-yl]acetate Traditional Name: 2-[1-(cyclopropylmethyl)-2-keto-6-phenyl-azepan-3-yl]acetic acid tert-butyl ester Formula: C22H31NO3 MolecularWeight: 357.48644

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CC1CCC(CN(C1=O)CC2CC2)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)CC1CCC(CN(C1=O)CC2CC2)C3=CC=CC=C3

InChI

InChI=1S/C22H31NO3/c1-22(2,3)26-20(24)13-18-11-12-19(17-7-5-4-6-8-17)15-23(21(18)25)14-16-9-10-16/h4-8,16,18-19H,9-15H2,1-3H3