O4-[(2R)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] O1-ethyl (E)-but-2-enedioate

Systemtic Name: O4-[(2R)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] O1-ethyl (E)-but-2-enedioate Openeye Name: O4-[(1R)-2-(1-adamantylamino)-1-methyl-2-oxo-ethyl] O1-ethyl (E)-but-2-enedioate CAS Name: (E)-2-butenedioic acid O4-[(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] ester O1-ethyl ester IUPAC Name: 4-O-[(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] 1-O-ethyl (E)-but-2-enedioate Traditional Name: (E)-but-2-enedioic acid O4-[(1R)-2-(1-adamantylamino)-2-keto-1-methyl-ethyl] ester O1-ethyl ester Formula: C19H27NO5 MolecularWeight: 349.42138

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(=O)OC(C)C(=O)NC12CC3CC(C1)CC(C3)C2

Isomeric SMILES

CCOC(=O)/C=C/C(=O)O[C@H](C)C(=O)NC12CC3CC(C1)CC(C3)C2

InChI

InChI=1S/C19H27NO5/c1-3-24-16(21)4-5-17(22)25-12(2)18(23)20-19-9-13-6-14(10-19)8-15(7-13)11-19/h4-5,12-15H,3,6-11H2,1-2H3,(H,20,23)/b5-4+/t12-,13?,14?,15?,19?/m1/s1