N-[[(1S,2S)-7-methoxy-2-methyl-1-propyl-3,4,9,10-tetrahydro-1H-phenanthren-2-yl]methyl]-4-nitro-aniline

Systemtic Name: N-[[(1S,2S)-7-methoxy-2-methyl-1-propyl-3,4,9,10-tetrahydro-1H-phenanthren-2-yl]methyl]-4-nitro-aniline Openeye Name: N-[[(1S,2S)-7-methoxy-2-methyl-1-propyl-3,4,9,10-tetrahydro-1H-phenanthren-2-yl]methyl]-4-nitro-aniline CAS Name: N-[[(1S,2S)-7-methoxy-2-methyl-1-propyl-3,4,9,10-tetrahydro-1H-phenanthren-2-yl]methyl]-4-nitroaniline IUPAC Name: N-[[(1S,2S)-7-methoxy-2-methyl-1-propyl-3,4,9,10-tetrahydro-1H-phenanthren-2-yl]methyl]-4-nitroaniline Traditional Name: [(1S,2S)-7-methoxy-2-methyl-1-propyl-3,4,9,10-tetrahydro-1H-phenanthren-2-yl]methyl-(4-nitrophenyl)amine Formula: C26H32N2O3 MolecularWeight: 420.54388

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1C2=C(CCC1(C)CNC3=CC=C(C=C3)[N+](=O)[O-])C4=C(CC2)C=C(C=C4)OC

Isomeric SMILES

CCC[C@H]1C2=C(CC[C@]1(C)CNC3=CC=C(C=C3)[N+](=O)[O-])C4=C(CC2)C=C(C=C4)OC

InChI

InChI=1S/C26H32N2O3/c1-4-5-25-24-12-6-18-16-21(31-3)11-13-22(18)23(24)14-15-26(25,2)17-27-19-7-9-20(10-8-19)28(29)30/h7-11,13,16,25,27H,4-6,12,14-15,17H2,1-3H3/t25-,26+/m0/s1