methyl 3-[2-(1-adamantyl)ethanoylamino]-4-chloranyl-benzoate

Systemtic Name: methyl 3-[2-(1-adamantyl)ethanoylamino]-4-chloranyl-benzoate Openeye Name: methyl 3-[[2-(1-adamantyl)acetyl]amino]-4-chloro-benzoate CAS Name: 3-[[2-(1-adamantyl)-1-oxoethyl]amino]-4-chlorobenzoic acid methyl ester IUPAC Name: methyl 3-[[2-(1-adamantyl)acetyl]amino]-4-chlorobenzoate Traditional Name: 3-[[2-(1-adamantyl)acetyl]amino]-4-chloro-benzoic acid methyl ester Formula: C20H24ClNO3 MolecularWeight: 361.86246

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)Cl)NC(=O)CC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)Cl)NC(=O)CC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C20H24ClNO3/c1-25-19(24)15-2-3-16(21)17(7-15)22-18(23)11-20-8-12-4-13(9-20)6-14(5-12)10-20/h2-3,7,12-14H,4-6,8-11H2,1H3,(H,22,23)