dimethyl 2-[[(2S,3S)-3-(3-cyclopentyloxy-4-methoxy-phenyl)pyrrolidin-2-yl]methyl]propanedioate

Systemtic Name: dimethyl 2-[[(2S,3S)-3-(3-cyclopentyloxy-4-methoxy-phenyl)pyrrolidin-2-yl]methyl]propanedioate Openeye Name: dimethyl 2-[[(2S,3S)-3-[3-(cyclopentoxy)-4-methoxy-phenyl]pyrrolidin-2-yl]methyl]propanedioate CAS Name: 2-[[(2S,3S)-3-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyrrolidinyl]methyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[[(2S,3S)-3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-yl]methyl]propanedioate Traditional Name: 2-[[(2S,3S)-3-[3-(cyclopentoxy)-4-methoxy-phenyl]pyrrolidin-2-yl]methyl]malonic acid dimethyl ester Formula: C22H31NO6 MolecularWeight: 405.48464

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2CCNC2CC(C(=O)OC)C(=O)OC)OC3CCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)[C@@H]2CCN[C@H]2CC(C(=O)OC)C(=O)OC)OC3CCCC3

InChI

InChI=1S/C22H31NO6/c1-26-19-9-8-14(12-20(19)29-15-6-4-5-7-15)16-10-11-23-18(16)13-17(21(24)27-2)22(25)28-3/h8-9,12,15-18,23H,4-7,10-11,13H2,1-3H3/t16-,18-/m0/s1