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

Systemtic Name: methyl 3-(3-cyclopentyloxy-4-methoxy-phenyl)-1-(phenylmethyl)pyrrolidine-3-carboxylate Openeye Name: methyl 1-benzyl-3-[3-(cyclopentoxy)-4-methoxy-phenyl]pyrrolidine-3-carboxylate CAS Name: 3-(3-cyclopentyloxy-4-methoxyphenyl)-1-(phenylmethyl)-3-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl 1-benzyl-3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidine-3-carboxylate Traditional Name: 1-benzyl-3-[3-(cyclopentoxy)-4-methoxy-phenyl]pyrrolidine-3-carboxylic acid methyl ester Formula: C25H31NO4 MolecularWeight: 409.51794

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2(CCN(C2)CC3=CC=CC=C3)C(=O)OC)OC4CCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)C2(CCN(C2)CC3=CC=CC=C3)C(=O)OC)OC4CCCC4

InChI

InChI=1S/C25H31NO4/c1-28-22-13-12-20(16-23(22)30-21-10-6-7-11-21)25(24(27)29-2)14-15-26(18-25)17-19-8-4-3-5-9-19/h3-5,8-9,12-13,16,21H,6-7,10-11,14-15,17-18H2,1-2H3