1-isocyanato-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,9,10,10a-octahydrophenanthrene

Systemtic Name: 1-isocyanato-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,9,10,10a-octahydrophenanthrene Openeye Name: 1-isocyanato-7-isopropyl-1,4a-dimethyl-2,3,4,4b,5,9,10,10a-octahydrophenanthrene CAS Name: 1-isocyanato-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,9,10,10a-octahydrophenanthrene IUPAC Name: 1-isocyanato-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,9,10,10a-octahydrophenanthrene Traditional Name: 1-isocyanato-7-isopropyl-1,4a-dimethyl-2,3,4,4b,5,9,10,10a-octahydrophenanthrene Formula: C20H29NO MolecularWeight: 299.45036

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CCC2C(=C1)CCC3C2(CCCC3(C)N=C=O)C

Isomeric SMILES

CC(C)C1=CCC2C(=C1)CCC3C2(CCCC3(C)N=C=O)C

InChI

InChI=1S/C20H29NO/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(17,3)10-5-11-20(18,4)21-13-22/h6,12,14,17-18H,5,7-11H2,1-4H3