2-[3-(4-chloranyl-3-methyl-phenoxy)propylamino]-3-methyl-benzoic acid

Systemtic Name: 2-[3-(4-chloranyl-3-methyl-phenoxy)propylamino]-3-methyl-benzoic acid Openeye Name: 2-[3-(4-chloro-3-methyl-phenoxy)propylamino]-3-methyl-benzoic acid CAS Name: 2-[3-(4-chloro-3-methylphenoxy)propylamino]-3-methylbenzoic acid IUPAC Name: 2-[3-(4-chloro-3-methylphenoxy)propylamino]-3-methylbenzoic acid Traditional Name: 2-[3-(4-chloro-3-methyl-phenoxy)propylamino]-3-methyl-benzoic acid Formula: C18H20ClNO3 MolecularWeight: 333.8093

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1NCCCOC2=CC(=C(C=C2)Cl)C)C(=O)O

Isomeric SMILES

CC1=CC=CC(=C1NCCCOC2=CC(=C(C=C2)Cl)C)C(=O)O

InChI

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