4-[3-[(4-chlorophenyl)-methyl-amino]-2-methyl-propoxy]benzoic acid

Systemtic Name: 4-[3-[(4-chlorophenyl)-methyl-amino]-2-methyl-propoxy]benzoic acid Openeye Name: 4-[3-(4-chloro-N-methyl-anilino)-2-methyl-propoxy]benzoic acid CAS Name: 4-[3-(4-chloro-N-methylanilino)-2-methylpropoxy]benzoic acid IUPAC Name: 4-[3-(4-chloro-N-methylanilino)-2-methylpropoxy]benzoic acid Traditional Name: 4-[3-(4-chloro-N-methyl-anilino)-2-methyl-propoxy]benzoic acid Formula: C18H20ClNO3 MolecularWeight: 333.8093

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN(C)C1=CC=C(C=C1)Cl)COC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC(CN(C)C1=CC=C(C=C1)Cl)COC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C18H20ClNO3/c1-13(11-20(2)16-7-5-15(19)6-8-16)12-23-17-9-3-14(4-10-17)18(21)22/h3-10,13H,11-12H2,1-2H3,(H,21,22)