3-cyanopropyl 3-[4-(4-methoxyphenyl)-3-oxidanylidene-quinoxalin-2-yl]propanoate

Systemtic Name: 3-cyanopropyl 3-[4-(4-methoxyphenyl)-3-oxidanylidene-quinoxalin-2-yl]propanoate Openeye Name: 3-cyanopropyl 3-[4-(4-methoxyphenyl)-3-oxo-quinoxalin-2-yl]propanoate CAS Name: 3-[4-(4-methoxyphenyl)-3-oxo-2-quinoxalinyl]propanoic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 3-[4-(4-methoxyphenyl)-3-oxoquinoxalin-2-yl]propanoate Traditional Name: 3-[3-keto-4-(4-methoxyphenyl)quinoxalin-2-yl]propionic acid 3-cyanopropyl ester Formula: C22H21N3O4 MolecularWeight: 391.41984

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C3=CC=CC=C3N=C(C2=O)CCC(=O)OCCCC#N

Isomeric SMILES

COC1=CC=C(C=C1)N2C3=CC=CC=C3N=C(C2=O)CCC(=O)OCCCC#N

InChI

InChI=1S/C22H21N3O4/c1-28-17-10-8-16(9-11-17)25-20-7-3-2-6-18(20)24-19(22(25)27)12-13-21(26)29-15-5-4-14-23/h2-3,6-11H,4-5,12-13,15H2,1H3