ethyl 2-[3-(2-cyano-3-oxidanylidene-3-piperidin-1-yl-prop-1-enyl)indol-1-yl]ethanoate

Systemtic Name: ethyl 2-[3-(2-cyano-3-oxidanylidene-3-piperidin-1-yl-prop-1-enyl)indol-1-yl]ethanoate Openeye Name: ethyl 2-[3-[2-cyano-3-oxo-3-(1-piperidyl)prop-1-enyl]indol-1-yl]acetate CAS Name: 2-[3-[2-cyano-3-oxo-3-(1-piperidinyl)prop-1-enyl]-1-indolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-(2-cyano-3-oxo-3-piperidin-1-ylprop-1-enyl)indol-1-yl]acetate Traditional Name: 2-[3-(2-cyano-3-keto-3-piperidino-prop-1-enyl)indol-1-yl]acetic acid ethyl ester Formula: C21H23N3O3 MolecularWeight: 365.42562

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C=C(C2=CC=CC=C21)C=C(C#N)C(=O)N3CCCCC3

Isomeric SMILES

CCOC(=O)CN1C=C(C2=CC=CC=C21)C=C(C#N)C(=O)N3CCCCC3

InChI

InChI=1S/C21H23N3O3/c1-2-27-20(25)15-24-14-17(18-8-4-5-9-19(18)24)12-16(13-22)21(26)23-10-6-3-7-11-23/h4-5,8-9,12,14H,2-3,6-7,10-11,15H2,1H3