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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(C)CCC2=CC=CO2)C(=O)O

Isomeric SMILES

CC1=C(C=CC=C1NC(C)CCC2=CC=CO2)C(=O)O

InChI

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