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

Systemtic Name: dimethyl 1-[2-(1-adamantyloxy)ethyl]-4-(2-butoxyphenyl)-4H-pyridine-3,5-dicarboxylate Openeye Name: dimethyl 1-[2-(1-adamantyloxy)ethyl]-4-(2-butoxyphenyl)-4H-pyridine-3,5-dicarboxylate CAS Name: 1-[2-(1-adamantyloxy)ethyl]-4-(2-butoxyphenyl)-4H-pyridine-3,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 1-[2-(1-adamantyloxy)ethyl]-4-(2-butoxyphenyl)-4H-pyridine-3,5-dicarboxylate Traditional Name: 1-[2-(1-adamantyloxy)ethyl]-4-(2-butoxyphenyl)-4H-pyridine-3,5-dicarboxylic acid dimethyl ester Formula: C31H41NO6 MolecularWeight: 523.66034

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC=C1C2C(=CN(C=C2C(=O)OC)CCOC34CC5CC(C3)CC(C5)C4)C(=O)OC

Isomeric SMILES

CCCCOC1=CC=CC=C1C2C(=CN(C=C2C(=O)OC)CCOC34CC5CC(C3)CC(C5)C4)C(=O)OC

InChI

InChI=1S/C31H41NO6/c1-4-5-11-37-27-9-7-6-8-24(27)28-25(29(33)35-2)19-32(20-26(28)30(34)36-3)10-12-38-31-16-21-13-22(17-31)15-23(14-21)18-31/h6-9,19-23,28H,4-5,10-18H2,1-3H3