2-(3-azanyl-4-chloranyl-phenyl)-N-octadecyl-1,3-benzoxazol-5-amine

Systemtic Name: 2-(3-azanyl-4-chloranyl-phenyl)-N-octadecyl-1,3-benzoxazol-5-amine Openeye Name: 2-(3-amino-4-chloro-phenyl)-N-octadecyl-1,3-benzoxazol-5-amine CAS Name: 2-(3-amino-4-chlorophenyl)-N-octadecyl-1,3-benzoxazol-5-amine IUPAC Name: 2-(3-amino-4-chlorophenyl)-N-octadecyl-1,3-benzoxazol-5-amine Traditional Name: [2-(3-amino-4-chloro-phenyl)-1,3-benzoxazol-5-yl]-stearyl-amine Formula: C31H46ClN3O MolecularWeight: 512.16944

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC1=CC2=C(C=C1)OC(=N2)C3=CC(=C(C=C3)Cl)N

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC1=CC2=C(C=C1)OC(=N2)C3=CC(=C(C=C3)Cl)N

InChI

InChI=1S/C31H46ClN3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-34-26-19-21-30-29(24-26)35-31(36-30)25-18-20-27(32)28(33)23-25/h18-21,23-24,34H,2-17,22,33H2,1H3