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

Systemtic Name: 4b-[2-(cyclopropylmethylamino)ethyl]-3-phenylmethoxy-5,6,7,8,9,10-hexahydrophenanthren-8a-ol Openeye Name: 3-benzyloxy-4b-[2-(cyclopropylmethylamino)ethyl]-5,6,7,8,9,10-hexahydrophenanthren-8a-ol CAS Name: 4b-[2-(cyclopropylmethylamino)ethyl]-3-phenylmethoxy-5,6,7,8,9,10-hexahydrophenanthren-8a-ol IUPAC Name: 4b-[2-(cyclopropylmethylamino)ethyl]-3-phenylmethoxy-5,6,7,8,9,10-hexahydrophenanthren-8a-ol Traditional Name: 3-benzoxy-4b-[2-(cyclopropylmethylamino)ethyl]-5,6,7,8,9,10-hexahydrophenanthren-8a-ol Formula: C27H35NO2 MolecularWeight: 405.5723

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(C3=C(CCC2(C1)O)C=CC(=C3)OCC4=CC=CC=C4)CCNCC5CC5

Isomeric SMILES

C1CCC2(C3=C(CCC2(C1)O)C=CC(=C3)OCC4=CC=CC=C4)CCNCC5CC5

InChI

InChI=1S/C27H35NO2/c29-27-14-5-4-13-26(27,16-17-28-19-21-8-9-21)25-18-24(11-10-23(25)12-15-27)30-20-22-6-2-1-3-7-22/h1-3,6-7,10-11,18,21,28-29H,4-5,8-9,12-17,19-20H2