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

Systemtic Name: 5-[[cyclopropyl-[(3-methylphenyl)methyl]amino]methyl]furan-2-carboxylic acid Openeye Name: 5-[[cyclopropyl(m-tolylmethyl)amino]methyl]furan-2-carboxylic acid CAS Name: 5-[[cyclopropyl-[(3-methylphenyl)methyl]amino]methyl]-2-furancarboxylic acid IUPAC Name: 5-[[cyclopropyl-[(3-methylphenyl)methyl]amino]methyl]furan-2-carboxylic acid Traditional Name: 5-[[cyclopropyl-(3-methylbenzyl)amino]methyl]-2-furoic acid Formula: C17H19NO3 MolecularWeight: 285.33766

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN(CC2=CC=C(O2)C(=O)O)C3CC3

Isomeric SMILES

CC1=CC(=CC=C1)CN(CC2=CC=C(O2)C(=O)O)C3CC3

InChI

InChI=1S/C17H19NO3/c1-12-3-2-4-13(9-12)10-18(14-5-6-14)11-15-7-8-16(21-15)17(19)20/h2-4,7-9,14H,5-6,10-11H2,1H3,(H,19,20)