[(2R)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] (E)-3-(3-ethoxy-4-methoxy-phenyl)prop-2-enoate

Systemtic Name: [(2R)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] (E)-3-(3-ethoxy-4-methoxy-phenyl)prop-2-enoate Openeye Name: [(1R)-2-(1-adamantylamino)-1-methyl-2-oxo-ethyl] (E)-3-(3-ethoxy-4-methoxy-phenyl)prop-2-enoate CAS Name: (E)-3-(3-ethoxy-4-methoxyphenyl)-2-propenoic acid [(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] (E)-3-(3-ethoxy-4-methoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(3-ethoxy-4-methoxy-phenyl)acrylic acid [(1R)-2-(1-adamantylamino)-2-keto-1-methyl-ethyl] ester Formula: C25H33NO5 MolecularWeight: 427.53322

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=CC(=O)OC(C)C(=O)NC23CC4CC(C2)CC(C4)C3)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C/C(=O)O[C@H](C)C(=O)NC23CC4CC(C2)CC(C4)C3)OC

InChI

InChI=1S/C25H33NO5/c1-4-30-22-12-17(5-7-21(22)29-3)6-8-23(27)31-16(2)24(28)26-25-13-18-9-19(14-25)11-20(10-18)15-25/h5-8,12,16,18-20H,4,9-11,13-15H2,1-3H3,(H,26,28)/b8-6+/t16-,18?,19?,20?,25?/m1/s1