methyl 2-[(1S,2R)-4-cyano-2-(2-methoxy-2-oxidanylidene-ethyl)-4-(4-methoxy-3-phenylmethoxy-phenyl)cyclopentyl]ethanoate

Systemtic Name: methyl 2-[(1S,2R)-4-cyano-2-(2-methoxy-2-oxidanylidene-ethyl)-4-(4-methoxy-3-phenylmethoxy-phenyl)cyclopentyl]ethanoate Openeye Name: methyl 2-[(1S,2R)-4-(3-benzyloxy-4-methoxy-phenyl)-4-cyano-2-(2-methoxy-2-oxo-ethyl)cyclopentyl]acetate CAS Name: 2-[(1S,2R)-4-cyano-2-(2-methoxy-2-oxoethyl)-4-(4-methoxy-3-phenylmethoxyphenyl)cyclopentyl]acetic acid methyl ester IUPAC Name: methyl 2-[(1S,2R)-4-cyano-2-(2-methoxy-2-oxoethyl)-4-(4-methoxy-3-phenylmethoxyphenyl)cyclopentyl]acetate Traditional Name: 2-[(1S,2R)-4-(3-benzoxy-4-methoxy-phenyl)-4-cyano-2-(2-keto-2-methoxy-ethyl)cyclopentyl]acetic acid methyl ester Formula: C26H29NO6 MolecularWeight: 451.51156

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2(CC(C(C2)CC(=O)OC)CC(=O)OC)C#N)OCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=C(C=C1)C2(C[C@@H]([C@@H](C2)CC(=O)OC)CC(=O)OC)C#N)OCC3=CC=CC=C3

InChI

InChI=1S/C26H29NO6/c1-30-22-10-9-21(13-23(22)33-16-18-7-5-4-6-8-18)26(17-27)14-19(11-24(28)31-2)20(15-26)12-25(29)32-3/h4-10,13,19-20H,11-12,14-16H2,1-3H3/t19-,20+,26?