(5S,7R)-3-(4-methoxyphenyl)adamantane-1-carboxylate

Systemtic Name: (5S,7R)-3-(4-methoxyphenyl)adamantane-1-carboxylate Openeye Name: (5S,7R)-3-(4-methoxyphenyl)adamantane-1-carboxylate CAS Name: (5S,7R)-3-(4-methoxyphenyl)-1-adamantanecarboxylate IUPAC Name: (5S,7R)-3-(4-methoxyphenyl)adamantane-1-carboxylate Traditional Name: (5S,7R)-3-(4-methoxyphenyl)adamantane-1-carboxylate Formula: C18H21O3- MolecularWeight: 285.35754

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)(C3)C(=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C23C[C@H]4C[C@@H](C2)CC(C4)(C3)C(=O)[O-]

InChI

InChI=1S/C18H22O3/c1-21-15-4-2-14(3-5-15)17-7-12-6-13(8-17)10-18(9-12,11-17)16(19)20/h2-5,12-13H,6-11H2,1H3,(H,19,20)/p-1/t12-,13+,17?,18?