5-[[(4-butan-2-ylphenyl)amino]methyl]furan-2-carboxylic acid

Systemtic Name: 5-[[(4-butan-2-ylphenyl)amino]methyl]furan-2-carboxylic acid Openeye Name: 5-[(4-sec-butylanilino)methyl]furan-2-carboxylic acid CAS Name: 5-[(4-butan-2-ylanilino)methyl]-2-furancarboxylic acid IUPAC Name: 5-[(4-butan-2-ylanilino)methyl]furan-2-carboxylic acid Traditional Name: 5-[(4-sec-butylanilino)methyl]-2-furoic acid Formula: C16H19NO3 MolecularWeight: 273.32696

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)NCC2=CC=C(O2)C(=O)O

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)NCC2=CC=C(O2)C(=O)O

InChI

InChI=1S/C16H19NO3/c1-3-11(2)12-4-6-13(7-5-12)17-10-14-8-9-15(20-14)16(18)19/h4-9,11,17H,3,10H2,1-2H3,(H,18,19)