methyl 6-[2-[3-(1-adamantyl)-4-(1-methoxyethoxymethoxy)phenyl]ethynyl]pyridine-3-carboxylate

Systemtic Name: methyl 6-[2-[3-(1-adamantyl)-4-(1-methoxyethoxymethoxy)phenyl]ethynyl]pyridine-3-carboxylate Openeye Name: methyl 6-[2-[3-(1-adamantyl)-4-(1-methoxyethoxymethoxy)phenyl]ethynyl]pyridine-3-carboxylate CAS Name: 6-[2-[3-(1-adamantyl)-4-(1-methoxyethoxymethoxy)phenyl]ethynyl]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 6-[2-[3-(1-adamantyl)-4-(1-methoxyethoxymethoxy)phenyl]ethynyl]pyridine-3-carboxylate Traditional Name: 6-[2-[3-(1-adamantyl)-4-(1-methoxyethoxymethoxy)phenyl]ethynyl]nicotinic acid methyl ester Formula: C29H33NO5 MolecularWeight: 475.57602

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Descriptors Computed from Structure

Canonical SMILES:

CC(OC)OCOC1=C(C=C(C=C1)C#CC2=NC=C(C=C2)C(=O)OC)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC(OC)OCOC1=C(C=C(C=C1)C#CC2=NC=C(C=C2)C(=O)OC)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C29H33NO5/c1-19(32-2)34-18-35-27-9-5-20(4-7-25-8-6-24(17-30-25)28(31)33-3)13-26(27)29-14-21-10-22(15-29)12-23(11-21)16-29/h5-6,8-9,13,17,19,21-23H,10-12,14-16,18H2,1-3H3