[2-(1-adamantylamino)-2-oxidanylidene-ethyl] (E)-3-(4-prop-2-enoxyphenyl)prop-2-enoate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] (E)-3-(4-prop-2-enoxyphenyl)prop-2-enoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] (E)-3-(4-allyloxyphenyl)prop-2-enoate CAS Name: (E)-3-(4-prop-2-enoxyphenyl)-2-propenoic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] (E)-3-(4-prop-2-enoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(4-allyloxyphenyl)acrylic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C24H29NO4 MolecularWeight: 395.49136

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29NO4/c1-2-9-28-21-6-3-17(4-7-21)5-8-23(27)29-16-22(26)25-24-13-18-10-19(14-24)12-20(11-18)15-24/h2-8,18-20H,1,9-16H2,(H,25,26)/b8-5+