ethyl 4-[(E)-2-[3-(1-adamantyl)-4-methoxy-phenyl]prop-1-enyl]benzoate

Systemtic Name: ethyl 4-[(E)-2-[3-(1-adamantyl)-4-methoxy-phenyl]prop-1-enyl]benzoate Openeye Name: ethyl 4-[(E)-2-[3-(1-adamantyl)-4-methoxy-phenyl]prop-1-enyl]benzoate CAS Name: 4-[(E)-2-[3-(1-adamantyl)-4-methoxyphenyl]prop-1-enyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(E)-2-[3-(1-adamantyl)-4-methoxyphenyl]prop-1-enyl]benzoate Traditional Name: 4-[(E)-2-[3-(1-adamantyl)-4-methoxy-phenyl]prop-1-enyl]benzoic acid ethyl ester Formula: C29H34O3 MolecularWeight: 430.57846

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C=C(C)C2=CC(=C(C=C2)OC)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)/C=C(\C)/C2=CC(=C(C=C2)OC)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C29H34O3/c1-4-32-28(30)24-7-5-20(6-8-24)11-19(2)25-9-10-27(31-3)26(15-25)29-16-21-12-22(17-29)14-23(13-21)18-29/h5-11,15,21-23H,4,12-14,16-18H2,1-3H3/b19-11+