3-[4-(furan-2-yl)butan-2-ylamino]-4-methyl-benzoic acid

Systemtic Name: 3-[4-(furan-2-yl)butan-2-ylamino]-4-methyl-benzoic acid Openeye Name: 3-[[3-(2-furyl)-1-methyl-propyl]amino]-4-methyl-benzoic acid CAS Name: 3-[4-(2-furanyl)butan-2-ylamino]-4-methylbenzoic acid IUPAC Name: 3-[4-(furan-2-yl)butan-2-ylamino]-4-methylbenzoic acid Traditional Name: 3-[[3-(2-furyl)-1-methyl-propyl]amino]-4-methyl-benzoic acid Formula: C16H19NO3 MolecularWeight: 273.32696

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NC(C)CCC2=CC=CO2

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC(C)CCC2=CC=CO2

InChI

InChI=1S/C16H19NO3/c1-11-5-7-13(16(18)19)10-15(11)17-12(2)6-8-14-4-3-9-20-14/h3-5,7,9-10,12,17H,6,8H2,1-2H3,(H,18,19)