[5-(3-cyano-2,2-dimethyl-cyclopropyl)-6a-methyl-6-morpholin-4-yl-2,3,3a,4-tetrahydro-1H-pentalen-1-yl] benzoate

Systemtic Name: [5-(3-cyano-2,2-dimethyl-cyclopropyl)-6a-methyl-6-morpholin-4-yl-2,3,3a,4-tetrahydro-1H-pentalen-1-yl] benzoate Openeye Name: [5-(3-cyano-2,2-dimethyl-cyclopropyl)-6a-methyl-6-morpholino-2,3,3a,4-tetrahydro-1H-pentalen-1-yl] benzoate CAS Name: benzoic acid [5-(3-cyano-2,2-dimethylcyclopropyl)-6a-methyl-6-(4-morpholinyl)-2,3,3a,4-tetrahydro-1H-pentalen-1-yl] ester IUPAC Name: [5-(3-cyano-2,2-dimethylcyclopropyl)-6a-methyl-6-morpholin-4-yl-2,3,3a,4-tetrahydro-1H-pentalen-1-yl] benzoate Traditional Name: benzoic acid [5-(3-cyano-2,2-dimethyl-cyclopropyl)-6a-methyl-6-morpholino-2,3,3a,4-tetrahydro-1H-pentalen-1-yl] ester Formula: C26H32N2O3 MolecularWeight: 420.54388

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C1C2=C(C3(C(C2)CCC3OC(=O)C4=CC=CC=C4)C)N5CCOCC5)C#N)C

Isomeric SMILES

CC1(C(C1C2=C(C3(C(C2)CCC3OC(=O)C4=CC=CC=C4)C)N5CCOCC5)C#N)C

InChI

InChI=1S/C26H32N2O3/c1-25(2)20(16-27)22(25)19-15-18-9-10-21(31-24(29)17-7-5-4-6-8-17)26(18,3)23(19)28-11-13-30-14-12-28/h4-8,18,20-22H,9-15H2,1-3H3