ethyl 2-[3-[(E)-2-cyano-3-oxidanylidene-3-(oxolan-2-ylmethylamino)prop-1-enyl]-2-methyl-indol-1-yl]ethanoate

Systemtic Name: ethyl 2-[3-[(E)-2-cyano-3-oxidanylidene-3-(oxolan-2-ylmethylamino)prop-1-enyl]-2-methyl-indol-1-yl]ethanoate Openeye Name: ethyl 2-[3-[(E)-2-cyano-3-oxo-3-(tetrahydrofuran-2-ylmethylamino)prop-1-enyl]-2-methyl-indol-1-yl]acetate CAS Name: 2-[3-[(E)-2-cyano-3-oxo-3-(2-oxolanylmethylamino)prop-1-enyl]-2-methyl-1-indolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-[(E)-2-cyano-3-oxo-3-(oxolan-2-ylmethylamino)prop-1-enyl]-2-methylindol-1-yl]acetate Traditional Name: 2-[3-[(E)-2-cyano-3-keto-3-(tetrahydrofurfurylamino)prop-1-enyl]-2-methyl-indol-1-yl]acetic acid ethyl ester Formula: C22H25N3O4 MolecularWeight: 395.4516

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C(=C(C2=CC=CC=C21)C=C(C#N)C(=O)NCC3CCCO3)C

Isomeric SMILES

CCOC(=O)CN1C(=C(C2=CC=CC=C21)/C=C(\C#N)/C(=O)NCC3CCCO3)C

InChI

InChI=1S/C22H25N3O4/c1-3-28-21(26)14-25-15(2)19(18-8-4-5-9-20(18)25)11-16(12-23)22(27)24-13-17-7-6-10-29-17/h4-5,8-9,11,17H,3,6-7,10,13-14H2,1-2H3,(H,24,27)/b16-11+