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

Systemtic Name: tert-butyl 4-(3-cyclopentyloxy-4-methoxy-phenyl)-1-(phenylmethyl)pyrrolidine-3-carboxylate Openeye Name: tert-butyl 1-benzyl-4-[3-(cyclopentoxy)-4-methoxy-phenyl]pyrrolidine-3-carboxylate CAS Name: 4-(3-cyclopentyloxy-4-methoxyphenyl)-1-(phenylmethyl)-3-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-benzyl-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidine-3-carboxylate Traditional Name: 1-benzyl-4-[3-(cyclopentoxy)-4-methoxy-phenyl]pyrrolidine-3-carboxylic acid tert-butyl ester Formula: C28H37NO4 MolecularWeight: 451.59768

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1CN(CC1C2=CC(=C(C=C2)OC)OC3CCCC3)CC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)C1CN(CC1C2=CC(=C(C=C2)OC)OC3CCCC3)CC4=CC=CC=C4

InChI

InChI=1S/C28H37NO4/c1-28(2,3)33-27(30)24-19-29(17-20-10-6-5-7-11-20)18-23(24)21-14-15-25(31-4)26(16-21)32-22-12-8-9-13-22/h5-7,10-11,14-16,22-24H,8-9,12-13,17-19H2,1-4H3