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

Systemtic Name: methyl (5S,7R)-3-(4-methoxyphenyl)carbonyladamantane-1-carboxylate Openeye Name: methyl (5S,7R)-3-(4-methoxybenzoyl)adamantane-1-carboxylate CAS Name: (5S,7R)-3-[(4-methoxyphenyl)-oxomethyl]-1-adamantanecarboxylic acid methyl ester IUPAC Name: methyl (5S,7R)-3-(4-methoxybenzoyl)adamantane-1-carboxylate Traditional Name: (5S,7R)-3-p-anisoyladamantane-1-carboxylic acid methyl ester Formula: C20H24O4 MolecularWeight: 328.40216

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)C23CC4CC(C2)CC(C4)(C3)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H24O4/c1-23-16-5-3-15(4-6-16)17(21)19-8-13-7-14(9-19)11-20(10-13,12-19)18(22)24-2/h3-6,13-14H,7-12H2,1-2H3/t13-,14+,19?,20?