methyl 5-[[[(5S,7R)-3-acetamido-1-adamantyl]carbonylamino]methyl]-2-methoxy-benzoate

Systemtic Name: methyl 5-[[[(5S,7R)-3-acetamido-1-adamantyl]carbonylamino]methyl]-2-methoxy-benzoate Openeye Name: methyl 5-[[[(5S,7R)-3-acetamidoadamantane-1-carbonyl]amino]methyl]-2-methoxy-benzoate CAS Name: 5-[[[[(5S,7R)-3-acetamido-1-adamantyl]-oxomethyl]amino]methyl]-2-methoxybenzoic acid methyl ester IUPAC Name: methyl 5-[[[(5S,7R)-3-acetamidoadamantane-1-carbonyl]amino]methyl]-2-methoxybenzoate Traditional Name: 5-[[[(5S,7R)-3-acetamidoadamantane-1-carbonyl]amino]methyl]-2-methoxy-benzoic acid methyl ester Formula: C23H30N2O5 MolecularWeight: 414.4947

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC12CC3CC(C1)CC(C3)(C2)C(=O)NCC4=CC(=C(C=C4)OC)C(=O)OC

Isomeric SMILES

CC(=O)NC12C[C@@H]3C[C@H](C1)CC(C3)(C2)C(=O)NCC4=CC(=C(C=C4)OC)C(=O)OC

InChI

InChI=1S/C23H30N2O5/c1-14(26)25-23-10-16-6-17(11-23)9-22(8-16,13-23)21(28)24-12-15-4-5-19(29-2)18(7-15)20(27)30-3/h4-5,7,16-17H,6,8-13H2,1-3H3,(H,24,28)(H,25,26)/t16-,17+,22?,23?