4b-[2-(cyclobutylmethylamino)ethyl]-3-phenylmethoxy-5,6,7,8,9,10-hexahydrophenanthren-8a-ol

Systemtic Name: 4b-[2-(cyclobutylmethylamino)ethyl]-3-phenylmethoxy-5,6,7,8,9,10-hexahydrophenanthren-8a-ol Openeye Name: 3-benzyloxy-4b-[2-(cyclobutylmethylamino)ethyl]-5,6,7,8,9,10-hexahydrophenanthren-8a-ol CAS Name: 4b-[2-(cyclobutylmethylamino)ethyl]-3-phenylmethoxy-5,6,7,8,9,10-hexahydrophenanthren-8a-ol IUPAC Name: 4b-[2-(cyclobutylmethylamino)ethyl]-3-phenylmethoxy-5,6,7,8,9,10-hexahydrophenanthren-8a-ol Traditional Name: 3-benzoxy-4b-[2-(cyclobutylmethylamino)ethyl]-5,6,7,8,9,10-hexahydrophenanthren-8a-ol Formula: C28H37NO2 MolecularWeight: 419.59888

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(C3=C(CCC2(C1)O)C=CC(=C3)OCC4=CC=CC=C4)CCNCC5CCC5

Isomeric SMILES

C1CCC2(C3=C(CCC2(C1)O)C=CC(=C3)OCC4=CC=CC=C4)CCNCC5CCC5

InChI

InChI=1S/C28H37NO2/c30-28-15-5-4-14-27(28,17-18-29-20-22-9-6-10-22)26-19-25(12-11-24(26)13-16-28)31-21-23-7-2-1-3-8-23/h1-3,7-8,11-12,19,22,29-30H,4-6,9-10,13-18,20-21H2