O4-[2-[1-(1-adamantyl)ethylamino]-2-oxidanylidene-ethyl] O1-ethyl (E)-but-2-enedioate

Systemtic Name: O4-[2-[1-(1-adamantyl)ethylamino]-2-oxidanylidene-ethyl] O1-ethyl (E)-but-2-enedioate Openeye Name: O4-[2-[1-(1-adamantyl)ethylamino]-2-oxo-ethyl] O1-ethyl (E)-but-2-enedioate CAS Name: (E)-2-butenedioic acid O4-[2-[1-(1-adamantyl)ethylamino]-2-oxoethyl] ester O1-ethyl ester IUPAC Name: 4-O-[2-[1-(1-adamantyl)ethylamino]-2-oxoethyl] 1-O-ethyl (E)-but-2-enedioate Traditional Name: (E)-but-2-enedioic acid O4-[2-[1-(1-adamantyl)ethylamino]-2-keto-ethyl] ester O1-ethyl ester Formula: C20H29NO5 MolecularWeight: 363.44796

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(=O)OCC(=O)NC(C)C12CC3CC(C1)CC(C3)C2

Isomeric SMILES

CCOC(=O)/C=C/C(=O)OCC(=O)NC(C)C12CC3CC(C1)CC(C3)C2

InChI

InChI=1S/C20H29NO5/c1-3-25-18(23)4-5-19(24)26-12-17(22)21-13(2)20-9-14-6-15(10-20)8-16(7-14)11-20/h4-5,13-16H,3,6-12H2,1-2H3,(H,21,22)/b5-4+