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

Systemtic Name: methyl 3-(1-adamantylcarbonylamino)-4-methyl-benzoate Openeye Name: methyl 3-(adamantane-1-carbonylamino)-4-methyl-benzoate CAS Name: 3-[[1-adamantyl(oxo)methyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-(adamantane-1-carbonylamino)-4-methylbenzoate Traditional Name: 3-(adamantane-1-carbonylamino)-4-methyl-benzoic acid methyl ester Formula: C20H25NO3 MolecularWeight: 327.4174

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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

Isomeric SMILES

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

InChI

InChI=1S/C20H25NO3/c1-12-3-4-16(18(22)24-2)8-17(12)21-19(23)20-9-13-5-14(10-20)7-15(6-13)11-20/h3-4,8,13-15H,5-7,9-11H2,1-2H3,(H,21,23)