methyl (2S)-2-[4-cyano-4-(3-cyclopentyloxy-4-methoxy-phenyl)piperidin-1-yl]propanoate

Systemtic Name: methyl (2S)-2-[4-cyano-4-(3-cyclopentyloxy-4-methoxy-phenyl)piperidin-1-yl]propanoate Openeye Name: methyl (2S)-2-[4-cyano-4-[3-(cyclopentoxy)-4-methoxy-phenyl]-1-piperidyl]propanoate CAS Name: (2S)-2-[4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-piperidinyl]propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)piperidin-1-yl]propanoate Traditional Name: (2S)-2-[4-cyano-4-[3-(cyclopentoxy)-4-methoxy-phenyl]piperidino]propionic acid methyl ester Formula: C22H30N2O4 MolecularWeight: 386.4846

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)N1CCC(CC1)(C#N)C2=CC(=C(C=C2)OC)OC3CCCC3

Isomeric SMILES

C[C@@H](C(=O)OC)N1CCC(CC1)(C#N)C2=CC(=C(C=C2)OC)OC3CCCC3

InChI

InChI=1S/C22H30N2O4/c1-16(21(25)27-3)24-12-10-22(15-23,11-13-24)17-8-9-19(26-2)20(14-17)28-18-6-4-5-7-18/h8-9,14,16,18H,4-7,10-13H2,1-3H3/t16-/m0/s1