ethyl 6-[(3R,5S)-3,5-bis(3-ethoxycarbonylpyridin-4-yl)cyclohexyl]pyridine-3-carboxylate

Systemtic Name: ethyl 6-[(3R,5S)-3,5-bis(3-ethoxycarbonylpyridin-4-yl)cyclohexyl]pyridine-3-carboxylate Openeye Name: ethyl 6-[(3R,5S)-3,5-bis(3-ethoxycarbonyl-4-pyridyl)cyclohexyl]pyridine-3-carboxylate CAS Name: 6-[(3R,5S)-3,5-bis(3-ethoxycarbonyl-4-pyridinyl)cyclohexyl]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[(3R,5S)-3,5-bis(3-ethoxycarbonylpyridin-4-yl)cyclohexyl]pyridine-3-carboxylate Traditional Name: 6-[(3R,5S)-3,5-bis(3-carbethoxy-4-pyridyl)cyclohexyl]nicotinic acid ethyl ester Formula: C30H33N3O6 MolecularWeight: 531.59952

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(C=C1)C2CC(CC(C2)C3=C(C=NC=C3)C(=O)OCC)C4=C(C=NC=C4)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=CN=C(C=C1)C2C[C@@H](C[C@@H](C2)C3=C(C=NC=C3)C(=O)OCC)C4=C(C=NC=C4)C(=O)OCC

InChI

InChI=1S/C30H33N3O6/c1-4-37-28(34)19-7-8-27(33-16-19)22-14-20(23-9-11-31-17-25(23)29(35)38-5-2)13-21(15-22)24-10-12-32-18-26(24)30(36)39-6-3/h7-12,16-18,20-22H,4-6,13-15H2,1-3H3/t20-,21+,22?