2-adamantyl 3-methylbenzoate

Systemtic Name: 2-adamantyl 3-methylbenzoate Openeye Name: 2-adamantyl 3-methylbenzoate CAS Name: 3-methylbenzoic acid 2-adamantyl ester IUPAC Name: 2-adamantyl 3-methylbenzoate Traditional Name: 3-methylbenzoic acid 2-adamantyl ester Formula: C18H22O2 MolecularWeight: 270.36608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)OC2C3CC4CC(C3)CC2C4

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)OC2C3CC4CC(C3)CC2C4

InChI

InChI=1S/C18H22O2/c1-11-3-2-4-14(5-11)18(19)20-17-15-7-12-6-13(9-15)10-16(17)8-12/h2-5,12-13,15-17H,6-10H2,1H3