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

Systemtic Name: methyl 4-methyl-3-[[(5S,7R)-3-oxidanyl-1-adamantyl]carbonylamino]benzoate Openeye Name: methyl 3-[[(5S,7R)-3-hydroxyadamantane-1-carbonyl]amino]-4-methyl-benzoate CAS Name: 3-[[[(5S,7R)-3-hydroxy-1-adamantyl]-oxomethyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[(5S,7R)-3-hydroxyadamantane-1-carbonyl]amino]-4-methylbenzoate Traditional Name: 3-[[(5S,7R)-3-hydroxyadamantane-1-carbonyl]amino]-4-methyl-benzoic acid methyl ester Formula: C20H25NO4 MolecularWeight: 343.4168

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25NO4/c1-12-3-4-15(17(22)25-2)6-16(12)21-18(23)19-7-13-5-14(8-19)10-20(24,9-13)11-19/h3-4,6,13-14,24H,5,7-11H2,1-2H3,(H,21,23)/t13-,14+,19?,20?