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

Systemtic Name: [(Z)-2-[3-(1-adamantyl)-4-methoxy-phenyl]prop-1-enyl] benzoate Openeye Name: [(Z)-2-[3-(1-adamantyl)-4-methoxy-phenyl]prop-1-enyl] benzoate CAS Name: benzoic acid [(Z)-2-[3-(1-adamantyl)-4-methoxyphenyl]prop-1-enyl] ester IUPAC Name: [(Z)-2-[3-(1-adamantyl)-4-methoxyphenyl]prop-1-enyl] benzoate Traditional Name: benzoic acid [(Z)-2-[3-(1-adamantyl)-4-methoxy-phenyl]prop-1-enyl] ester Formula: C27H30O3 MolecularWeight: 402.5253

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H30O3/c1-18(17-30-26(28)22-6-4-3-5-7-22)23-8-9-25(29-2)24(13-23)27-14-19-10-20(15-27)12-21(11-19)16-27/h3-9,13,17,19-21H,10-12,14-16H2,1-2H3/b18-17-