methyl 2-methyl-5-[(E)-3-oxidanylidene-3-[(phenylmethyl)amino]prop-1-enyl]furan-3-carboxylate

Systemtic Name: methyl 2-methyl-5-[(E)-3-oxidanylidene-3-[(phenylmethyl)amino]prop-1-enyl]furan-3-carboxylate Openeye Name: methyl 5-[(E)-3-(benzylamino)-3-oxo-prop-1-enyl]-2-methyl-furan-3-carboxylate CAS Name: 2-methyl-5-[(E)-3-oxo-3-[(phenylmethyl)amino]prop-1-enyl]-3-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[(E)-3-(benzylamino)-3-oxoprop-1-enyl]-2-methylfuran-3-carboxylate Traditional Name: 5-[(E)-3-(benzylamino)-3-keto-prop-1-enyl]-2-methyl-furan-3-carboxylic acid methyl ester Formula: C17H17NO4 MolecularWeight: 299.32118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)C=CC(=O)NCC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CC1=C(C=C(O1)/C=C/C(=O)NCC2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C17H17NO4/c1-12-15(17(20)21-2)10-14(22-12)8-9-16(19)18-11-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3,(H,18,19)/b9-8+