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

Systemtic Name: [2-[1-(1-adamantyl)ethylamino]-2-oxidanylidene-ethyl] (E)-3-(5-methylfuran-2-yl)prop-2-enoate Openeye Name: [2-[1-(1-adamantyl)ethylamino]-2-oxo-ethyl] (E)-3-(5-methyl-2-furyl)prop-2-enoate CAS Name: (E)-3-(5-methyl-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-methylfuran-2-yl)prop-2-enoate Traditional Name: (E)-3-(5-methyl-2-furyl)acrylic acid [2-[1-(1-adamantyl)ethylamino]-2-keto-ethyl] ester Formula: C22H29NO4 MolecularWeight: 371.46996

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C=CC(=O)OCC(=O)NC(C)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC1=CC=C(O1)/C=C/C(=O)OCC(=O)NC(C)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C22H29NO4/c1-14-3-4-19(27-14)5-6-21(25)26-13-20(24)23-15(2)22-10-16-7-17(11-22)9-18(8-16)12-22/h3-6,15-18H,7-13H2,1-2H3,(H,23,24)/b6-5+