(4-methylphenyl) 3-chloranyladamantane-1-carboxylate

Systemtic Name: (4-methylphenyl) 3-chloranyladamantane-1-carboxylate Openeye Name: p-tolyl 3-chloroadamantane-1-carboxylate CAS Name: 3-chloro-1-adamantanecarboxylic acid (4-methylphenyl) ester IUPAC Name: (4-methylphenyl) 3-chloroadamantane-1-carboxylate Traditional Name: 3-chloroadamantane-1-carboxylic acid p-tolyl ester Formula: C18H21ClO2 MolecularWeight: 304.81114

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21ClO2/c1-12-2-4-15(5-3-12)21-16(20)17-7-13-6-14(8-17)10-18(19,9-13)11-17/h2-5,13-14H,6-11H2,1H3