3-[5-[2-cyano-3-oxidanylidene-3-[(phenylmethyl)amino]prop-1-enyl]furan-2-yl]-2-methyl-benzoic acid

Systemtic Name: 3-[5-[2-cyano-3-oxidanylidene-3-[(phenylmethyl)amino]prop-1-enyl]furan-2-yl]-2-methyl-benzoic acid Openeye Name: 3-[5-[3-(benzylamino)-2-cyano-3-oxo-prop-1-enyl]-2-furyl]-2-methyl-benzoic acid CAS Name: 3-[5-[2-cyano-3-oxo-3-[(phenylmethyl)amino]prop-1-enyl]-2-furanyl]-2-methylbenzoic acid IUPAC Name: 3-[5-[3-(benzylamino)-2-cyano-3-oxoprop-1-enyl]furan-2-yl]-2-methylbenzoic acid Traditional Name: 3-[5-[3-(benzylamino)-2-cyano-3-keto-prop-1-enyl]-2-furyl]-2-methyl-benzoic acid Formula: C23H18N2O4 MolecularWeight: 386.40002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1C(=O)O)C2=CC=C(O2)C=C(C#N)C(=O)NCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC=C1C(=O)O)C2=CC=C(O2)C=C(C#N)C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C23H18N2O4/c1-15-19(8-5-9-20(15)23(27)28)21-11-10-18(29-21)12-17(13-24)22(26)25-14-16-6-3-2-4-7-16/h2-12H,14H2,1H3,(H,25,26)(H,27,28)