methyl 3-(1-adamantylcarbonylamino)-4-chloranyl-benzoate

Systemtic Name: methyl 3-(1-adamantylcarbonylamino)-4-chloranyl-benzoate Openeye Name: methyl 3-(adamantane-1-carbonylamino)-4-chloro-benzoate CAS Name: 3-[[1-adamantyl(oxo)methyl]amino]-4-chlorobenzoic acid methyl ester IUPAC Name: methyl 3-(adamantane-1-carbonylamino)-4-chlorobenzoate Traditional Name: 3-(adamantane-1-carbonylamino)-4-chloro-benzoic acid methyl ester Formula: C19H22ClNO3 MolecularWeight: 347.83588

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22ClNO3/c1-24-17(22)14-2-3-15(20)16(7-14)21-18(23)19-8-11-4-12(9-19)6-13(5-11)10-19/h2-3,7,11-13H,4-6,8-10H2,1H3,(H,21,23)