[2-[1-(1-adamantyl)ethylamino]-2-oxidanylidene-ethyl] (E)-3-(4-methoxyphenyl)prop-2-enoate

Systemtic Name: [2-[1-(1-adamantyl)ethylamino]-2-oxidanylidene-ethyl] (E)-3-(4-methoxyphenyl)prop-2-enoate Openeye Name: [2-[1-(1-adamantyl)ethylamino]-2-oxo-ethyl] (E)-3-(4-methoxyphenyl)prop-2-enoate CAS Name: (E)-3-(4-methoxyphenyl)-2-propenoic acid [2-[1-(1-adamantyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[1-(1-adamantyl)ethylamino]-2-oxoethyl] (E)-3-(4-methoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(4-methoxyphenyl)acrylic acid [2-[1-(1-adamantyl)ethylamino]-2-keto-ethyl] ester Formula: C24H31NO4 MolecularWeight: 397.50724

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Descriptors Computed from Structure

Canonical SMILES:

CC(C12CC3CC(C1)CC(C3)C2)NC(=O)COC(=O)C=CC4=CC=C(C=C4)OC

Isomeric SMILES

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

InChI

InChI=1S/C24H31NO4/c1-16(24-12-18-9-19(13-24)11-20(10-18)14-24)25-22(26)15-29-23(27)8-5-17-3-6-21(28-2)7-4-17/h3-8,16,18-20H,9-15H2,1-2H3,(H,25,26)/b8-5+