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

Systemtic Name: methyl 4-[(Z)-2-[3-(1-adamantyl)-4-methoxy-phenyl]prop-1-enyl]benzoate Openeye Name: methyl 4-[(Z)-2-[3-(1-adamantyl)-4-methoxy-phenyl]prop-1-enyl]benzoate CAS Name: 4-[(Z)-2-[3-(1-adamantyl)-4-methoxyphenyl]prop-1-enyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(Z)-2-[3-(1-adamantyl)-4-methoxyphenyl]prop-1-enyl]benzoate Traditional Name: 4-[(Z)-2-[3-(1-adamantyl)-4-methoxy-phenyl]prop-1-enyl]benzoic acid methyl ester Formula: C28H32O3 MolecularWeight: 416.55188

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=CC=C(C=C1)C(=O)OC)C2=CC(=C(C=C2)OC)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

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

InChI

InChI=1S/C28H32O3/c1-18(10-19-4-6-23(7-5-19)27(29)31-3)24-8-9-26(30-2)25(14-24)28-15-20-11-21(16-28)13-22(12-20)17-28/h4-10,14,20-22H,11-13,15-17H2,1-3H3/b18-10-