tert-butyl 3-(3-cyclopentyloxy-4-methoxy-phenyl)-3-(pyridin-4-ylmethyl)pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 3-(3-cyclopentyloxy-4-methoxy-phenyl)-3-(pyridin-4-ylmethyl)pyrrolidine-1-carboxylate Openeye Name: tert-butyl 3-[3-(cyclopentoxy)-4-methoxy-phenyl]-3-(4-pyridylmethyl)pyrrolidine-1-carboxylate CAS Name: 3-(3-cyclopentyloxy-4-methoxyphenyl)-3-(pyridin-4-ylmethyl)-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-(3-cyclopentyloxy-4-methoxyphenyl)-3-(pyridin-4-ylmethyl)pyrrolidine-1-carboxylate Traditional Name: 3-[3-(cyclopentoxy)-4-methoxy-phenyl]-3-(4-pyridylmethyl)pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C27H36N2O4 MolecularWeight: 452.58574

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(C1)(CC2=CC=NC=C2)C3=CC(=C(C=C3)OC)OC4CCCC4

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(C1)(CC2=CC=NC=C2)C3=CC(=C(C=C3)OC)OC4CCCC4

InChI

InChI=1S/C27H36N2O4/c1-26(2,3)33-25(30)29-16-13-27(19-29,18-20-11-14-28-15-12-20)21-9-10-23(31-4)24(17-21)32-22-7-5-6-8-22/h9-12,14-15,17,22H,5-8,13,16,18-19H2,1-4H3