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

Systemtic Name: methyl 4-[2-[[(5S,7R)-3-chloranyl-1-adamantyl]carbonylamino]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[[(5S,7R)-3-chloroadamantane-1-carbonyl]amino]acetyl]amino]benzoate CAS Name: 4-[[2-[[[(5S,7R)-3-chloro-1-adamantyl]-oxomethyl]amino]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[[(5S,7R)-3-chloroadamantane-1-carbonyl]amino]acetyl]amino]benzoate Traditional Name: 4-[[2-[[(5S,7R)-3-chloroadamantane-1-carbonyl]amino]acetyl]amino]benzoic acid methyl ester Formula: C21H25ClN2O4 MolecularWeight: 404.8872

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)CNC(=O)C23CC4CC(C2)CC(C4)(C3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H25ClN2O4/c1-28-18(26)15-2-4-16(5-3-15)24-17(25)11-23-19(27)20-7-13-6-14(8-20)10-21(22,9-13)12-20/h2-5,13-14H,6-12H2,1H3,(H,23,27)(H,24,25)/t13-,14+,20?,21?