2-(4-butoxyphenyl)ethanamine; 2-nitro-4-pentyl-1-phenylmethoxy-benzene

Systemtic Name: 2-(4-butoxyphenyl)ethanamine; 2-nitro-4-pentyl-1-phenylmethoxy-benzene Openeye Name: 1-benzyloxy-2-nitro-4-pentyl-benzene; 2-(4-butoxyphenyl)ethanamine CAS Name: 2-(4-butoxyphenyl)ethanamine; 2-nitro-4-pentyl-1-phenylmethoxybenzene IUPAC Name: 2-(4-butoxyphenyl)ethanamine; 2-nitro-4-pentyl-1-phenylmethoxybenzene Traditional Name: 4-amyl-1-benzoxy-2-nitro-benzene; 2-(4-butoxyphenyl)ethylamine Formula: C30H40N2O4 MolecularWeight: 492.6496

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC(=C(C=C1)OCC2=CC=CC=C2)[N+](=O)[O-].CCCCOC1=CC=C(C=C1)CCN

Isomeric SMILES

CCCCCC1=CC(=C(C=C1)OCC2=CC=CC=C2)[N+](=O)[O-].CCCCOC1=CC=C(C=C1)CCN

InChI

InChI=1S/C18H21NO3.C12H19NO/c1-2-3-5-8-15-11-12-18(17(13-15)19(20)21)22-14-16-9-6-4-7-10-16;1-2-3-10-14-12-6-4-11(5-7-12)8-9-13/h4,6-7,9-13H,2-3,5,8,14H2,1H3;4-7H,2-3,8-10,13H2,1H3