(4aS,10aR)-6-methoxy-1,1-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-4a-carbonitrile

Systemtic Name: (4aS,10aR)-6-methoxy-1,1-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-4a-carbonitrile Openeye Name: (4aS,10aR)-7-isopropyl-6-methoxy-1,1-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-4a-carbonitrile CAS Name: (4aS,10aR)-6-methoxy-1,1-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-4a-carbonitrile IUPAC Name: (4aS,10aR)-6-methoxy-1,1-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-4a-carbonitrile Traditional Name: (4aS,10aR)-7-isopropyl-6-methoxy-1,1-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-4a-carbonitrile Formula: C21H29NO MolecularWeight: 311.46106

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=C2C(=C1)CCC3C2(CCCC3(C)C)C#N)OC

Isomeric SMILES

CC(C)C1=C(C=C2C(=C1)CC[C@H]3[C@]2(CCCC3(C)C)C#N)OC

InChI

InChI=1S/C21H29NO/c1-14(2)16-11-15-7-8-19-20(3,4)9-6-10-21(19,13-22)17(15)12-18(16)23-5/h11-12,14,19H,6-10H2,1-5H3/t19-,21-/m1/s1