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

Systemtic Name: methyl 3-[2-[[(5S,7R)-3-chloranyl-1-adamantyl]carbonylamino]ethanoylamino]-4-methyl-benzoate Openeye Name: methyl 3-[[2-[[(5S,7R)-3-chloroadamantane-1-carbonyl]amino]acetyl]amino]-4-methyl-benzoate CAS Name: 3-[[2-[[[(5S,7R)-3-chloro-1-adamantyl]-oxomethyl]amino]-1-oxoethyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[2-[[(5S,7R)-3-chloroadamantane-1-carbonyl]amino]acetyl]amino]-4-methylbenzoate Traditional Name: 3-[[2-[[(5S,7R)-3-chloroadamantane-1-carbonyl]amino]acetyl]amino]-4-methyl-benzoic acid methyl ester Formula: C22H27ClN2O4 MolecularWeight: 418.91378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CNC(=O)C23CC4CC(C2)CC(C4)(C3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CNC(=O)C23C[C@H]4C[C@@H](C2)CC(C4)(C3)Cl

InChI

InChI=1S/C22H27ClN2O4/c1-13-3-4-16(19(27)29-2)6-17(13)25-18(26)11-24-20(28)21-7-14-5-15(8-21)10-22(23,9-14)12-21/h3-4,6,14-15H,5,7-12H2,1-2H3,(H,24,28)(H,25,26)/t14-,15+,21?,22?