ethyl 6-[3-(3-tert-butyl-4-pyrrolidin-1-yl-phenyl)-4-(3-oxidanylpropoxy)phenyl]pyridine-3-carboxylate

Systemtic Name: ethyl 6-[3-(3-tert-butyl-4-pyrrolidin-1-yl-phenyl)-4-(3-oxidanylpropoxy)phenyl]pyridine-3-carboxylate Openeye Name: ethyl 6-[3-(3-tert-butyl-4-pyrrolidin-1-yl-phenyl)-4-(3-hydroxypropoxy)phenyl]pyridine-3-carboxylate CAS Name: 6-[3-[3-tert-butyl-4-(1-pyrrolidinyl)phenyl]-4-(3-hydroxypropoxy)phenyl]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[3-(3-tert-butyl-4-pyrrolidin-1-ylphenyl)-4-(3-hydroxypropoxy)phenyl]pyridine-3-carboxylate Traditional Name: 6-[3-(3-tert-butyl-4-pyrrolidino-phenyl)-4-(3-hydroxypropoxy)phenyl]nicotinic acid ethyl ester Formula: C31H38N2O4 MolecularWeight: 502.64442

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(C=C1)C2=CC(=C(C=C2)OCCCO)C3=CC(=C(C=C3)N4CCCC4)C(C)(C)C

Isomeric SMILES

CCOC(=O)C1=CN=C(C=C1)C2=CC(=C(C=C2)OCCCO)C3=CC(=C(C=C3)N4CCCC4)C(C)(C)C

InChI

InChI=1S/C31H38N2O4/c1-5-36-30(35)24-9-12-27(32-21-24)23-11-14-29(37-18-8-17-34)25(19-23)22-10-13-28(33-15-6-7-16-33)26(20-22)31(2,3)4/h9-14,19-21,34H,5-8,15-18H2,1-4H3