(7-cyano-13-methyl-3-phenylmethoxy-11,12,16,17-tetrahydrocyclopenta[a]phenanthren-17-yl) ethanoate

Systemtic Name: (7-cyano-13-methyl-3-phenylmethoxy-11,12,16,17-tetrahydrocyclopenta[a]phenanthren-17-yl) ethanoate Openeye Name: (3-benzyloxy-7-cyano-13-methyl-11,12,16,17-tetrahydrocyclopenta[a]phenanthren-17-yl) acetate CAS Name: acetic acid (7-cyano-13-methyl-3-phenylmethoxy-11,12,16,17-tetrahydrocyclopenta[a]phenanthren-17-yl) ester IUPAC Name: (7-cyano-13-methyl-3-phenylmethoxy-11,12,16,17-tetrahydrocyclopenta[a]phenanthren-17-yl) acetate Traditional Name: acetic acid (3-benzoxy-7-cyano-13-methyl-11,12,16,17-tetrahydrocyclopenta[a]phenanthren-17-yl) ester Formula: C28H25NO3 MolecularWeight: 423.503

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CC=C2C1(CCC3=C2C(=CC4=C3C=CC(=C4)OCC5=CC=CC=C5)C#N)C

Isomeric SMILES

CC(=O)OC1CC=C2C1(CCC3=C2C(=CC4=C3C=CC(=C4)OCC5=CC=CC=C5)C#N)C

InChI

InChI=1S/C28H25NO3/c1-18(30)32-26-11-10-25-27-21(16-29)14-20-15-22(31-17-19-6-4-3-5-7-19)8-9-23(20)24(27)12-13-28(25,26)2/h3-10,14-15,26H,11-13,17H2,1-2H3