(3S,4R)-1-(3-cyclopentyloxy-4-methoxy-phenyl)-3,4-bis(2-oxidanylideneethyl)cyclopentane-1-carbonitrile

Systemtic Name: (3S,4R)-1-(3-cyclopentyloxy-4-methoxy-phenyl)-3,4-bis(2-oxidanylideneethyl)cyclopentane-1-carbonitrile Openeye Name: (3S,4R)-1-[3-(cyclopentoxy)-4-methoxy-phenyl]-3,4-bis(2-oxoethyl)cyclopentanecarbonitrile CAS Name: (3S,4R)-1-(3-cyclopentyloxy-4-methoxyphenyl)-3,4-bis(2-oxoethyl)-1-cyclopentanecarbonitrile IUPAC Name: (3S,4R)-1-(3-cyclopentyloxy-4-methoxyphenyl)-3,4-bis(2-oxoethyl)cyclopentane-1-carbonitrile Traditional Name: (3S,4R)-1-[3-(cyclopentoxy)-4-methoxy-phenyl]-3,4-bis(2-ketoethyl)cyclopentanecarbonitrile Formula: C22H27NO4 MolecularWeight: 369.45408

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2(CC(C(C2)CC=O)CC=O)C#N)OC3CCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)C2(C[C@@H]([C@@H](C2)CC=O)CC=O)C#N)OC3CCCC3

InChI

InChI=1S/C22H27NO4/c1-26-20-7-6-18(12-21(20)27-19-4-2-3-5-19)22(15-23)13-16(8-10-24)17(14-22)9-11-25/h6-7,10-12,16-17,19H,2-5,8-9,13-14H2,1H3/t16-,17+,22?