(4-prop-2-enoxycarbonylphenyl) 3-(1-adamantyl)-4-ethyl-benzoate

Systemtic Name: (4-prop-2-enoxycarbonylphenyl) 3-(1-adamantyl)-4-ethyl-benzoate Openeye Name: (4-allyloxycarbonylphenyl) 3-(1-adamantyl)-4-ethyl-benzoate CAS Name: 3-(1-adamantyl)-4-ethylbenzoic acid [4-[oxo(prop-2-enoxy)methyl]phenyl] ester IUPAC Name: (4-prop-2-enoxycarbonylphenyl) 3-(1-adamantyl)-4-ethylbenzoate Traditional Name: 3-(1-adamantyl)-4-ethyl-benzoic acid (4-allyloxycarbonylphenyl) ester Formula: C29H32O4 MolecularWeight: 444.56198

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=O)OCC=C)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=O)OCC=C)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C29H32O4/c1-3-11-32-27(30)23-7-9-25(10-8-23)33-28(31)24-6-5-22(4-2)26(15-24)29-16-19-12-20(17-29)14-21(13-19)18-29/h3,5-10,15,19-21H,1,4,11-14,16-18H2,2H3