[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxidanylidene-ethyl] 2-(3-bromanylphenoxy)ethanoate

Systemtic Name: [2-[2-(cyclohexen-1-yl)ethylamino]-2-oxidanylidene-ethyl] 2-(3-bromanylphenoxy)ethanoate Openeye Name: [2-[2-(cyclohexen-1-yl)ethylamino]-2-oxo-ethyl] 2-(3-bromophenoxy)acetate CAS Name: 2-(3-bromophenoxy)acetic acid [2-[2-(1-cyclohexenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] 2-(3-bromophenoxy)acetate Traditional Name: 2-(3-bromophenoxy)acetic acid [2-[2-(cyclohexen-1-yl)ethylamino]-2-keto-ethyl] ester Formula: C18H22BrNO4 MolecularWeight: 396.27558

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)CCNC(=O)COC(=O)COC2=CC(=CC=C2)Br

Isomeric SMILES

C1CCC(=CC1)CCNC(=O)COC(=O)COC2=CC(=CC=C2)Br

InChI

InChI=1S/C18H22BrNO4/c19-15-7-4-8-16(11-15)23-13-18(22)24-12-17(21)20-10-9-14-5-2-1-3-6-14/h4-5,7-8,11H,1-3,6,9-10,12-13H2,(H,20,21)