3-(3-chlorophenyl)-4-propyl-5-(propylamino)furan-2-carboxylic acid

Systemtic Name: 3-(3-chlorophenyl)-4-propyl-5-(propylamino)furan-2-carboxylic acid Openeye Name: 3-(3-chlorophenyl)-4-propyl-5-(propylamino)furan-2-carboxylic acid CAS Name: 3-(3-chlorophenyl)-4-propyl-5-(propylamino)-2-furancarboxylic acid IUPAC Name: 3-(3-chlorophenyl)-4-propyl-5-(propylamino)furan-2-carboxylic acid Traditional Name: 3-(3-chlorophenyl)-4-propyl-5-(propylamino)-2-furoic acid Formula: C17H20ClNO3 MolecularWeight: 321.7986

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(OC(=C1C2=CC(=CC=C2)Cl)C(=O)O)NCCC

Isomeric SMILES

CCCC1=C(OC(=C1C2=CC(=CC=C2)Cl)C(=O)O)NCCC

InChI

InChI=1S/C17H20ClNO3/c1-3-6-13-14(11-7-5-8-12(18)10-11)15(17(20)21)22-16(13)19-9-4-2/h5,7-8,10,19H,3-4,6,9H2,1-2H3,(H,20,21)