2-methyl-5-[(E)-2-methyl-3-oxidanyl-prop-1-enyl]furan-3-carboxylic acid; phenylmethanamine

Systemtic Name: 2-methyl-5-[(E)-2-methyl-3-oxidanyl-prop-1-enyl]furan-3-carboxylic acid; phenylmethanamine Openeye Name: 5-[(E)-3-hydroxy-2-methyl-prop-1-enyl]-2-methyl-furan-3-carboxylic acid; phenylmethanamine CAS Name: 5-[(E)-3-hydroxy-2-methylprop-1-enyl]-2-methyl-3-furancarboxylic acid; phenylmethanamine IUPAC Name: 5-[(E)-3-hydroxy-2-methylprop-1-enyl]-2-methylfuran-3-carboxylic acid; phenylmethanamine Traditional Name: benzylamine; 5-[(E)-3-hydroxy-2-methyl-prop-1-enyl]-2-methyl-3-furoic acid Formula: C17H21NO4 MolecularWeight: 303.35294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)C=C(C)CO)C(=O)O.C1=CC=C(C=C1)CN

Isomeric SMILES

CC1=C(C=C(O1)/C=C(\C)/CO)C(=O)O.C1=CC=C(C=C1)CN

InChI

InChI=1S/C10H12O4.C7H9N/c1-6(5-11)3-8-4-9(10(12)13)7(2)14-8;8-6-7-4-2-1-3-5-7/h3-4,11H,5H2,1-2H3,(H,12,13);1-5H,6,8H2/b6-3+;