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

Systemtic Name: methyl 3-[(Z)-5-[4-(1-adamantyl)-3-methoxy-phenyl]-1-oxidanyl-pent-2-en-2-yl]benzoate Openeye Name: methyl 3-[(Z)-4-[4-(1-adamantyl)-3-methoxy-phenyl]-1-(hydroxymethyl)but-1-enyl]benzoate CAS Name: 3-[(Z)-5-[4-(1-adamantyl)-3-methoxyphenyl]-1-hydroxypent-2-en-2-yl]benzoic acid methyl ester IUPAC Name: methyl 3-[(Z)-5-[4-(1-adamantyl)-3-methoxyphenyl]-1-hydroxypent-2-en-2-yl]benzoate Traditional Name: 3-[(Z)-4-[4-(1-adamantyl)-3-methoxy-phenyl]-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=C(C=CC(=C1)CCC=C(CO)C2=CC(=CC=C2)C(=O)OC)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC1=C(C=CC(=C1)CC/C=C(\CO)/C2=CC(=CC=C2)C(=O)OC)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C30H36O4/c1-33-28-14-20(5-3-8-26(19-31)24-6-4-7-25(15-24)29(32)34-2)9-10-27(28)30-16-21-11-22(17-30)13-23(12-21)18-30/h4,6-10,14-15,21-23,31H,3,5,11-13,16-19H2,1-2H3/b26-8+