(4S,5R)-N-[(4-methoxyphenyl)methyl]-5-nitro-1-phenyl-heptan-4-amine

Systemtic Name: (4S,5R)-N-[(4-methoxyphenyl)methyl]-5-nitro-1-phenyl-heptan-4-amine Openeye Name: (4S,5R)-N-[(4-methoxyphenyl)methyl]-5-nitro-1-phenyl-heptan-4-amine CAS Name: (4S,5R)-N-[(4-methoxyphenyl)methyl]-5-nitro-1-phenyl-4-heptanamine IUPAC Name: (4S,5R)-N-[(4-methoxyphenyl)methyl]-5-nitro-1-phenylheptan-4-amine Traditional Name: [(1S,2R)-2-nitro-1-(3-phenylpropyl)butyl]-p-anisyl-amine Formula: C21H28N2O3 MolecularWeight: 356.45862

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(CCCC1=CC=CC=C1)NCC2=CC=C(C=C2)OC)[N+](=O)[O-]

Isomeric SMILES

CC[C@H]([C@H](CCCC1=CC=CC=C1)NCC2=CC=C(C=C2)OC)[N+](=O)[O-]

InChI

InChI=1S/C21H28N2O3/c1-3-21(23(24)25)20(11-7-10-17-8-5-4-6-9-17)22-16-18-12-14-19(26-2)15-13-18/h4-6,8-9,12-15,20-22H,3,7,10-11,16H2,1-2H3/t20-,21+/m0/s1