methyl 2-[4-[2-cyano-3-[2-(1H-indol-3-yl)ethylamino]-3-oxidanylidene-prop-1-enyl]-2-ethoxy-phenoxy]ethanoate

Systemtic Name: methyl 2-[4-[2-cyano-3-[2-(1H-indol-3-yl)ethylamino]-3-oxidanylidene-prop-1-enyl]-2-ethoxy-phenoxy]ethanoate Openeye Name: methyl 2-[4-[2-cyano-3-[2-(1H-indol-3-yl)ethylamino]-3-oxo-prop-1-enyl]-2-ethoxy-phenoxy]acetate CAS Name: 2-[4-[2-cyano-3-[2-(1H-indol-3-yl)ethylamino]-3-oxoprop-1-enyl]-2-ethoxyphenoxy]acetic acid methyl ester IUPAC Name: methyl 2-[4-[2-cyano-3-[2-(1H-indol-3-yl)ethylamino]-3-oxoprop-1-enyl]-2-ethoxyphenoxy]acetate Traditional Name: 2-[4-[2-cyano-3-[2-(1H-indol-3-yl)ethylamino]-3-keto-prop-1-enyl]-2-ethoxy-phenoxy]acetic acid methyl ester Formula: C25H25N3O5 MolecularWeight: 447.4831

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C(C#N)C(=O)NCCC2=CNC3=CC=CC=C32)OCC(=O)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)C=C(C#N)C(=O)NCCC2=CNC3=CC=CC=C32)OCC(=O)OC

InChI

InChI=1S/C25H25N3O5/c1-3-32-23-13-17(8-9-22(23)33-16-24(29)31-2)12-19(14-26)25(30)27-11-10-18-15-28-21-7-5-4-6-20(18)21/h4-9,12-13,15,28H,3,10-11,16H2,1-2H3,(H,27,30)