5-[1-[(phenylmethyl)amino]but-3-enyl]furan-2-carboxylic acid

Systemtic Name: 5-[1-[(phenylmethyl)amino]but-3-enyl]furan-2-carboxylic acid Openeye Name: 5-[1-(benzylamino)but-3-enyl]furan-2-carboxylic acid CAS Name: 5-[1-[(phenylmethyl)amino]but-3-enyl]-2-furancarboxylic acid IUPAC Name: 5-[1-(benzylamino)but-3-enyl]furan-2-carboxylic acid Traditional Name: 5-[1-(benzylamino)but-3-enyl]-2-furoic acid Formula: C16H17NO3 MolecularWeight: 271.31108

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC(C1=CC=C(O1)C(=O)O)NCC2=CC=CC=C2

Isomeric SMILES

C=CCC(C1=CC=C(O1)C(=O)O)NCC2=CC=CC=C2

InChI

InChI=1S/C16H17NO3/c1-2-6-13(14-9-10-15(20-14)16(18)19)17-11-12-7-4-3-5-8-12/h2-5,7-10,13,17H,1,6,11H2,(H,18,19)