methyl 2-[[(5S,7R)-3-chloranyl-1-adamantyl]carbonylamino]-4,5-dimethoxy-benzoate

Systemtic Name: methyl 2-[[(5S,7R)-3-chloranyl-1-adamantyl]carbonylamino]-4,5-dimethoxy-benzoate Openeye Name: methyl 2-[[(5S,7R)-3-chloroadamantane-1-carbonyl]amino]-4,5-dimethoxy-benzoate CAS Name: 2-[[[(5S,7R)-3-chloro-1-adamantyl]-oxomethyl]amino]-4,5-dimethoxybenzoic acid methyl ester IUPAC Name: methyl 2-[[(5S,7R)-3-chloroadamantane-1-carbonyl]amino]-4,5-dimethoxybenzoate Traditional Name: 2-[[(5S,7R)-3-chloroadamantane-1-carbonyl]amino]-4,5-dimethoxy-benzoic acid methyl ester Formula: C21H26ClNO5 MolecularWeight: 407.88784

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)C23CC4CC(C2)CC(C4)(C3)Cl)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)C23C[C@H]4C[C@@H](C2)CC(C4)(C3)Cl)OC

InChI

InChI=1S/C21H26ClNO5/c1-26-16-5-14(18(24)28-3)15(6-17(16)27-2)23-19(25)20-7-12-4-13(8-20)10-21(22,9-12)11-20/h5-6,12-13H,4,7-11H2,1-3H3,(H,23,25)/t12-,13+,20?,21?