[2-(1-adamantyl)-2-oxidanylidene-ethyl] 3-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanoate

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 3-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanoate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] 3-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanoate CAS Name: 3-[[(E)-3-(4-methoxyphenyl)-1-oxoprop-2-enyl]amino]propanoic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] 3-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanoate Traditional Name: 3-[[(E)-3-(4-methoxyphenyl)acryloyl]amino]propionic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C25H31NO5 MolecularWeight: 425.51734

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=CC(=O)NCCC(=O)OCC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

COC1=CC=C(C=C1)/C=C/C(=O)NCCC(=O)OCC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C25H31NO5/c1-30-21-5-2-17(3-6-21)4-7-23(28)26-9-8-24(29)31-16-22(27)25-13-18-10-19(14-25)12-20(11-18)15-25/h2-7,18-20H,8-16H2,1H3,(H,26,28)/b7-4+