4-[5-[(Z)-2-cyano-3-[2-(1H-indol-3-yl)ethylamino]-3-oxidanylidene-prop-1-enyl]furan-2-yl]-3-methyl-benzoate

Systemtic Name: 4-[5-[(Z)-2-cyano-3-[2-(1H-indol-3-yl)ethylamino]-3-oxidanylidene-prop-1-enyl]furan-2-yl]-3-methyl-benzoate Openeye Name: 4-[5-[(Z)-2-cyano-3-[2-(1H-indol-3-yl)ethylamino]-3-oxo-prop-1-enyl]-2-furyl]-3-methyl-benzoate CAS Name: 4-[5-[(Z)-2-cyano-3-[2-(1H-indol-3-yl)ethylamino]-3-oxoprop-1-enyl]-2-furanyl]-3-methylbenzoate IUPAC Name: 4-[5-[(Z)-2-cyano-3-[2-(1H-indol-3-yl)ethylamino]-3-oxoprop-1-enyl]furan-2-yl]-3-methylbenzoate Traditional Name: 4-[5-[(Z)-2-cyano-3-[2-(1H-indol-3-yl)ethylamino]-3-keto-prop-1-enyl]-2-furyl]-3-methyl-benzoate Formula: C26H20N3O4- MolecularWeight: 438.4547

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)[O-])C2=CC=C(O2)C=C(C#N)C(=O)NCCC3=CNC4=CC=CC=C43

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)[O-])C2=CC=C(O2)/C=C(/C#N)\C(=O)NCCC3=CNC4=CC=CC=C43

InChI

InChI=1S/C26H21N3O4/c1-16-12-17(26(31)32)6-8-21(16)24-9-7-20(33-24)13-19(14-27)25(30)28-11-10-18-15-29-23-5-3-2-4-22(18)23/h2-9,12-13,15,29H,10-11H2,1H3,(H,28,30)(H,31,32)/p-1/b19-13-