methyl 3-[(Z)-5-(1-adamantyl)-3-(4-methoxyphenyl)-1-oxidanyl-pent-2-en-2-yl]benzoate

Systemtic Name: methyl 3-[(Z)-5-(1-adamantyl)-3-(4-methoxyphenyl)-1-oxidanyl-pent-2-en-2-yl]benzoate Openeye Name: methyl 3-[(Z)-4-(1-adamantyl)-1-(hydroxymethyl)-2-(4-methoxyphenyl)but-1-enyl]benzoate CAS Name: 3-[(Z)-5-(1-adamantyl)-1-hydroxy-3-(4-methoxyphenyl)pent-2-en-2-yl]benzoic acid methyl ester IUPAC Name: methyl 3-[(Z)-5-(1-adamantyl)-1-hydroxy-3-(4-methoxyphenyl)pent-2-en-2-yl]benzoate Traditional Name: 3-[(Z)-4-(1-adamantyl)-2-(4-methoxyphenyl)-1-methylol-but-1-enyl]benzoic acid methyl ester Formula: C30H36O4 MolecularWeight: 460.60444

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=C(CO)C2=CC(=CC=C2)C(=O)OC)CCC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC1=CC=C(C=C1)/C(=C(\CO)/C2=CC(=CC=C2)C(=O)OC)/CCC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C30H36O4/c1-33-26-8-6-23(7-9-26)27(28(19-31)24-4-3-5-25(15-24)29(32)34-2)10-11-30-16-20-12-21(17-30)14-22(13-20)18-30/h3-9,15,20-22,31H,10-14,16-19H2,1-2H3/b28-27+