1-[5-(5-azanyl-2-chloranyl-4-methyl-phenoxy)-2-oxidanyl-3-propyl-phenyl]ethanone

Systemtic Name: 1-[5-(5-azanyl-2-chloranyl-4-methyl-phenoxy)-2-oxidanyl-3-propyl-phenyl]ethanone Openeye Name: 1-[5-(5-amino-2-chloro-4-methyl-phenoxy)-2-hydroxy-3-propyl-phenyl]ethanone CAS Name: 1-[5-(5-amino-2-chloro-4-methylphenoxy)-2-hydroxy-3-propylphenyl]ethanone IUPAC Name: 1-[5-(5-amino-2-chloro-4-methylphenoxy)-2-hydroxy-3-propylphenyl]ethanone Traditional Name: 1-[5-(5-amino-2-chloro-4-methyl-phenoxy)-2-hydroxy-3-propyl-phenyl]ethanone Formula: C18H20ClNO3 MolecularWeight: 333.8093

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=CC(=C1)OC2=C(C=C(C(=C2)N)C)Cl)C(=O)C)O

Isomeric SMILES

CCCC1=C(C(=CC(=C1)OC2=C(C=C(C(=C2)N)C)Cl)C(=O)C)O

InChI

InChI=1S/C18H20ClNO3/c1-4-5-12-7-13(8-14(11(3)21)18(12)22)23-17-9-16(20)10(2)6-15(17)19/h6-9,22H,4-5,20H2,1-3H3