[1-[4-(2-methylpropanoylamino)phenyl]-1-oxidanylidene-propan-2-yl] 2-(2-oxidanylideneazepan-1-yl)ethanoate

Systemtic Name: [1-[4-(2-methylpropanoylamino)phenyl]-1-oxidanylidene-propan-2-yl] 2-(2-oxidanylideneazepan-1-yl)ethanoate Openeye Name: [1-methyl-2-[4-(2-methylpropanoylamino)phenyl]-2-oxo-ethyl] 2-(2-oxoazepan-1-yl)acetate CAS Name: 2-(2-oxo-1-azepanyl)acetic acid [1-[4-[(2-methyl-1-oxopropyl)amino]phenyl]-1-oxopropan-2-yl] ester IUPAC Name: [1-[4-(2-methylpropanoylamino)phenyl]-1-oxopropan-2-yl] 2-(2-oxoazepan-1-yl)acetate Traditional Name: 2-(2-ketoazepan-1-yl)acetic acid [2-[4-(isobutyrylamino)phenyl]-2-keto-1-methyl-ethyl] ester Formula: C21H28N2O5 MolecularWeight: 388.45742

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC=C(C=C1)C(=O)C(C)OC(=O)CN2CCCCCC2=O

Isomeric SMILES

CC(C)C(=O)NC1=CC=C(C=C1)C(=O)C(C)OC(=O)CN2CCCCCC2=O

InChI

InChI=1S/C21H28N2O5/c1-14(2)21(27)22-17-10-8-16(9-11-17)20(26)15(3)28-19(25)13-23-12-6-4-5-7-18(23)24/h8-11,14-15H,4-7,12-13H2,1-3H3,(H,22,27)