[2-[1-(1-adamantyl)ethylamino]-2-oxidanylidene-ethyl] (E)-3-(5-bromanylfuran-2-yl)prop-2-enoate

Systemtic Name: [2-[1-(1-adamantyl)ethylamino]-2-oxidanylidene-ethyl] (E)-3-(5-bromanylfuran-2-yl)prop-2-enoate Openeye Name: [2-[1-(1-adamantyl)ethylamino]-2-oxo-ethyl] (E)-3-(5-bromo-2-furyl)prop-2-enoate CAS Name: (E)-3-(5-bromo-2-furanyl)-2-propenoic acid [2-[1-(1-adamantyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[1-(1-adamantyl)ethylamino]-2-oxoethyl] (E)-3-(5-bromofuran-2-yl)prop-2-enoate Traditional Name: (E)-3-(5-bromo-2-furyl)acrylic acid [2-[1-(1-adamantyl)ethylamino]-2-keto-ethyl] ester Formula: C21H26BrNO4 MolecularWeight: 436.33944

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Descriptors Computed from Structure

Canonical SMILES:

CC(C12CC3CC(C1)CC(C3)C2)NC(=O)COC(=O)C=CC4=CC=C(O4)Br

Isomeric SMILES

CC(C12CC3CC(C1)CC(C3)C2)NC(=O)COC(=O)/C=C/C4=CC=C(O4)Br

InChI

InChI=1S/C21H26BrNO4/c1-13(21-9-14-6-15(10-21)8-16(7-14)11-21)23-19(24)12-26-20(25)5-3-17-2-4-18(22)27-17/h2-5,13-16H,6-12H2,1H3,(H,23,24)/b5-3+