[2-(3-chloranyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl] 2-[(5S,7R)-3-oxidanyl-1-adamantyl]ethanoate

Systemtic Name: [2-(3-chloranyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl] 2-[(5S,7R)-3-oxidanyl-1-adamantyl]ethanoate Openeye Name: [2-(3-chloro-4-methoxy-phenyl)-2-oxo-ethyl] 2-[(5S,7R)-3-hydroxy-1-adamantyl]acetate CAS Name: 2-[(5S,7R)-3-hydroxy-1-adamantyl]acetic acid [2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] 2-[(5S,7R)-3-hydroxy-1-adamantyl]acetate Traditional Name: 2-[(5S,7R)-3-hydroxy-1-adamantyl]acetic acid [2-(3-chloro-4-methoxy-phenyl)-2-keto-ethyl] ester Formula: C21H25ClO5 MolecularWeight: 392.8732

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)COC(=O)CC23CC4CC(C2)CC(C4)(C3)O)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)COC(=O)CC23C[C@H]4C[C@@H](C2)CC(C4)(C3)O)Cl

InChI

InChI=1S/C21H25ClO5/c1-26-18-3-2-15(5-16(18)22)17(23)11-27-19(24)10-20-6-13-4-14(7-20)9-21(25,8-13)12-20/h2-3,5,13-14,25H,4,6-12H2,1H3/t13-,14+,20?,21?