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

Systemtic Name: methyl 3-(1-adamantylmethylcarbamoylamino)-4-chloranyl-benzoate Openeye Name: methyl 3-(1-adamantylmethylcarbamoylamino)-4-chloro-benzoate CAS Name: 3-[[(1-adamantylmethylamino)-oxomethyl]amino]-4-chlorobenzoic acid methyl ester IUPAC Name: methyl 3-(1-adamantylmethylcarbamoylamino)-4-chlorobenzoate Traditional Name: 3-(1-adamantylmethylcarbamoylamino)-4-chloro-benzoic acid methyl ester Formula: C20H25ClN2O3 MolecularWeight: 376.8771

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)Cl)NC(=O)NCC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)Cl)NC(=O)NCC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C20H25ClN2O3/c1-26-18(24)15-2-3-16(21)17(7-15)23-19(25)22-11-20-8-12-4-13(9-20)6-14(5-12)10-20/h2-3,7,12-14H,4-6,8-11H2,1H3,(H2,22,23,25)