N'-[[(1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methyl]-N-[(3,4-dimethoxyphenyl)methyl]ethane-1,2-diamine

Systemtic Name: N'-[[(1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methyl]-N-[(3,4-dimethoxyphenyl)methyl]ethane-1,2-diamine Openeye Name: N'-[[(1R,4aS,10aR)-7-isopropyl-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methyl]-N-[(3,4-dimethoxyphenyl)methyl]ethane-1,2-diamine CAS Name: N'-[[(1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methyl]-N-[(3,4-dimethoxyphenyl)methyl]ethane-1,2-diamine IUPAC Name: N'-[[(1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methyl]-N-[(3,4-dimethoxyphenyl)methyl]ethane-1,2-diamine Traditional Name: [(1R,4aS,10aR)-7-isopropyl-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methyl-[2-(veratrylamino)ethyl]amine Formula: C31H46N2O2 MolecularWeight: 478.70914

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=C(C=C1)C3(CCCC(C3CC2)(C)CNCCNCC4=CC(=C(C=C4)OC)OC)C

Isomeric SMILES

CC(C)C1=CC2=C(C=C1)[C@]3(CCC[C@@]([C@@H]3CC2)(C)CNCCNCC4=CC(=C(C=C4)OC)OC)C

InChI

InChI=1S/C31H46N2O2/c1-22(2)24-9-11-26-25(19-24)10-13-29-30(3,14-7-15-31(26,29)4)21-33-17-16-32-20-23-8-12-27(34-5)28(18-23)35-6/h8-9,11-12,18-19,22,29,32-33H,7,10,13-17,20-21H2,1-6H3/t29-,30-,31+/m0/s1