5-[[cyclohexyl-[(3-methylphenyl)methyl]amino]methyl]furan-2-carboxylic acid

Systemtic Name: 5-[[cyclohexyl-[(3-methylphenyl)methyl]amino]methyl]furan-2-carboxylic acid Openeye Name: 5-[[cyclohexyl(m-tolylmethyl)amino]methyl]furan-2-carboxylic acid CAS Name: 5-[[cyclohexyl-[(3-methylphenyl)methyl]amino]methyl]-2-furancarboxylic acid IUPAC Name: 5-[[cyclohexyl-[(3-methylphenyl)methyl]amino]methyl]furan-2-carboxylic acid Traditional Name: 5-[[cyclohexyl-(3-methylbenzyl)amino]methyl]-2-furoic acid Formula: C20H25NO3 MolecularWeight: 327.4174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN(CC2=CC=C(O2)C(=O)O)C3CCCCC3

Isomeric SMILES

CC1=CC(=CC=C1)CN(CC2=CC=C(O2)C(=O)O)C3CCCCC3

InChI

InChI=1S/C20H25NO3/c1-15-6-5-7-16(12-15)13-21(17-8-3-2-4-9-17)14-18-10-11-19(24-18)20(22)23/h5-7,10-12,17H,2-4,8-9,13-14H2,1H3,(H,22,23)