[2-(azepan-1-yl)-2-oxidanylidene-ethyl] 2-[(4-tert-butylphenyl)carbonylamino]ethanoate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 2-[(4-tert-butylphenyl)carbonylamino]ethanoate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 2-[(4-tert-butylbenzoyl)amino]acetate CAS Name: 2-[[(4-tert-butylphenyl)-oxomethyl]amino]acetic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 2-[(4-tert-butylbenzoyl)amino]acetate Traditional Name: 2-[(4-tert-butylbenzoyl)amino]acetic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C21H30N2O4 MolecularWeight: 374.4739

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NCC(=O)OCC(=O)N2CCCCCC2

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NCC(=O)OCC(=O)N2CCCCCC2

InChI

InChI=1S/C21H30N2O4/c1-21(2,3)17-10-8-16(9-11-17)20(26)22-14-19(25)27-15-18(24)23-12-6-4-5-7-13-23/h8-11H,4-7,12-15H2,1-3H3,(H,22,26)