4-[(S)-(4-hexoxyphenyl)-(3-methoxy-4-nitro-phenyl)methyl]-N,N-dimethyl-aniline

Systemtic Name: 4-[(S)-(4-hexoxyphenyl)-(3-methoxy-4-nitro-phenyl)methyl]-N,N-dimethyl-aniline Openeye Name: 4-[(S)-(4-hexoxyphenyl)-(3-methoxy-4-nitro-phenyl)methyl]-N,N-dimethyl-aniline CAS Name: 4-[(S)-(4-hexoxyphenyl)-(3-methoxy-4-nitrophenyl)methyl]-N,N-dimethylaniline IUPAC Name: 4-[(S)-(4-hexoxyphenyl)-(3-methoxy-4-nitrophenyl)methyl]-N,N-dimethylaniline Traditional Name: [4-[(S)-(4-hexoxyphenyl)-(3-methoxy-4-nitro-phenyl)methyl]phenyl]-dimethyl-amine Formula: C28H34N2O4 MolecularWeight: 462.58056

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C(C2=CC=C(C=C2)N(C)C)C3=CC(=C(C=C3)[N+](=O)[O-])OC

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)[C@H](C2=CC=C(C=C2)N(C)C)C3=CC(=C(C=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C28H34N2O4/c1-5-6-7-8-19-34-25-16-11-22(12-17-25)28(21-9-14-24(15-10-21)29(2)3)23-13-18-26(30(31)32)27(20-23)33-4/h9-18,20,28H,5-8,19H2,1-4H3/t28-/m0/s1