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

Systemtic Name: 4-methyl-3-[[3-(3-methylphenyl)propylamino]methyl]-2-phenoxy-benzoic acid Openeye Name: 4-methyl-3-[[3-(m-tolyl)propylamino]methyl]-2-phenoxy-benzoic acid CAS Name: 4-methyl-3-[[3-(3-methylphenyl)propylamino]methyl]-2-phenoxybenzoic acid IUPAC Name: 4-methyl-3-[[3-(3-methylphenyl)propylamino]methyl]-2-phenoxybenzoic acid Traditional Name: 4-methyl-3-[[3-(m-tolyl)propylamino]methyl]-2-phenoxy-benzoic acid Formula: C25H27NO3 MolecularWeight: 389.48678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CCCNCC2=C(C=CC(=C2OC3=CC=CC=C3)C(=O)O)C

Isomeric SMILES

CC1=CC(=CC=C1)CCCNCC2=C(C=CC(=C2OC3=CC=CC=C3)C(=O)O)C

InChI

InChI=1S/C25H27NO3/c1-18-8-6-9-20(16-18)10-7-15-26-17-23-19(2)13-14-22(25(27)28)24(23)29-21-11-4-3-5-12-21/h3-6,8-9,11-14,16,26H,7,10,15,17H2,1-2H3,(H,27,28)