dimethyl 1-[2-(1-adamantyl)ethyl]-4-(2-ethoxyphenyl)-4H-pyridine-3,5-dicarboxylate

Systemtic Name: dimethyl 1-[2-(1-adamantyl)ethyl]-4-(2-ethoxyphenyl)-4H-pyridine-3,5-dicarboxylate Openeye Name: dimethyl 1-[2-(1-adamantyl)ethyl]-4-(2-ethoxyphenyl)-4H-pyridine-3,5-dicarboxylate CAS Name: 1-[2-(1-adamantyl)ethyl]-4-(2-ethoxyphenyl)-4H-pyridine-3,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 1-[2-(1-adamantyl)ethyl]-4-(2-ethoxyphenyl)-4H-pyridine-3,5-dicarboxylate Traditional Name: 1-[2-(1-adamantyl)ethyl]-4-o-phenetyl-4H-pyridine-3,5-dicarboxylic acid dimethyl ester Formula: C29H37NO5 MolecularWeight: 479.60778

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C2C(=CN(C=C2C(=O)OC)CCC34CC5CC(C3)CC(C5)C4)C(=O)OC

Isomeric SMILES

CCOC1=CC=CC=C1C2C(=CN(C=C2C(=O)OC)CCC34CC5CC(C3)CC(C5)C4)C(=O)OC

InChI

InChI=1S/C29H37NO5/c1-4-35-25-8-6-5-7-22(25)26-23(27(31)33-2)17-30(18-24(26)28(32)34-3)10-9-29-14-19-11-20(15-29)13-21(12-19)16-29/h5-8,17-21,26H,4,9-16H2,1-3H3