dimethyl 4-[4-(1-adamantylcarbamoylamino)phenyl]-2,6-dimethyl-pyridine-3,5-dicarboxylate

Systemtic Name: dimethyl 4-[4-(1-adamantylcarbamoylamino)phenyl]-2,6-dimethyl-pyridine-3,5-dicarboxylate Openeye Name: dimethyl 4-[4-(1-adamantylcarbamoylamino)phenyl]-2,6-dimethyl-pyridine-3,5-dicarboxylate CAS Name: 4-[4-[[(1-adamantylamino)-oxomethyl]amino]phenyl]-2,6-dimethylpyridine-3,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 4-[4-(1-adamantylcarbamoylamino)phenyl]-2,6-dimethylpyridine-3,5-dicarboxylate Traditional Name: 4-[4-(1-adamantylcarbamoylamino)phenyl]-2,6-dimethyl-pyridine-3,5-dicarboxylic acid dimethyl ester Formula: C28H33N3O5 MolecularWeight: 491.57872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=N1)C)C(=O)OC)C2=CC=C(C=C2)NC(=O)NC34CC5CC(C3)CC(C5)C4)C(=O)OC

Isomeric SMILES

CC1=C(C(=C(C(=N1)C)C(=O)OC)C2=CC=C(C=C2)NC(=O)NC34CC5CC(C3)CC(C5)C4)C(=O)OC

InChI

InChI=1S/C28H33N3O5/c1-15-22(25(32)35-3)24(23(16(2)29-15)26(33)36-4)20-5-7-21(8-6-20)30-27(34)31-28-12-17-9-18(13-28)11-19(10-17)14-28/h5-8,17-19H,9-14H2,1-4H3,(H2,30,31,34)