[2-(1-adamantylamino)-2-oxidanylidene-ethyl] (E)-3-(3-methoxy-4-propoxy-phenyl)prop-2-enoate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] (E)-3-(3-methoxy-4-propoxy-phenyl)prop-2-enoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] (E)-3-(3-methoxy-4-propoxy-phenyl)prop-2-enoate CAS Name: (E)-3-(3-methoxy-4-propoxyphenyl)-2-propenoic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] (E)-3-(3-methoxy-4-propoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(3-methoxy-4-propoxy-phenyl)acrylic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C25H33NO5 MolecularWeight: 427.53322

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C=CC(=O)OCC(=O)NC23CC4CC(C2)CC(C4)C3)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)/C=C/C(=O)OCC(=O)NC23CC4CC(C2)CC(C4)C3)OC

InChI

InChI=1S/C25H33NO5/c1-3-8-30-21-6-4-17(12-22(21)29-2)5-7-24(28)31-16-23(27)26-25-13-18-9-19(14-25)11-20(10-18)15-25/h4-7,12,18-20H,3,8-11,13-16H2,1-2H3,(H,26,27)/b7-5+