methyl 5-[3-(1-adamantyl)-1-(3-chloranyl-4-methoxy-5-methoxycarbonyl-phenyl)prop-1-enyl]-3-chloranyl-2-methoxy-benzoate

Systemtic Name: methyl 5-[3-(1-adamantyl)-1-(3-chloranyl-4-methoxy-5-methoxycarbonyl-phenyl)prop-1-enyl]-3-chloranyl-2-methoxy-benzoate Openeye Name: methyl 5-[3-(1-adamantyl)-1-(3-chloro-4-methoxy-5-methoxycarbonyl-phenyl)prop-1-enyl]-3-chloro-2-methoxy-benzoate CAS Name: 5-[3-(1-adamantyl)-1-(3-chloro-4-methoxy-5-methoxycarbonylphenyl)prop-1-enyl]-3-chloro-2-methoxybenzoic acid methyl ester IUPAC Name: methyl 5-[3-(1-adamantyl)-1-(3-chloro-4-methoxy-5-methoxycarbonylphenyl)prop-1-enyl]-3-chloro-2-methoxybenzoate Traditional Name: 5-[3-(1-adamantyl)-1-(3-carbomethoxy-5-chloro-4-methoxy-phenyl)prop-1-enyl]-3-chloro-2-methoxy-benzoic acid methyl ester Formula: C31H34Cl2O6 MolecularWeight: 573.50406

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1Cl)C(=CCC23CC4CC(C2)CC(C4)C3)C5=CC(=C(C(=C5)Cl)OC)C(=O)OC)C(=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1Cl)C(=CCC23CC4CC(C2)CC(C4)C3)C5=CC(=C(C(=C5)Cl)OC)C(=O)OC)C(=O)OC

InChI

InChI=1S/C31H34Cl2O6/c1-36-27-23(29(34)38-3)10-20(12-25(27)32)22(21-11-24(30(35)39-4)28(37-2)26(33)13-21)5-6-31-14-17-7-18(15-31)9-19(8-17)16-31/h5,10-13,17-19H,6-9,14-16H2,1-4H3