[2-(5-cyanopent-1-ynyl)-4-[3-(2-hydroxyethylamino)-3-oxidanylidene-propyl]-6-methoxy-phenyl] ethanoate

Systemtic Name: [2-(5-cyanopent-1-ynyl)-4-[3-(2-hydroxyethylamino)-3-oxidanylidene-propyl]-6-methoxy-phenyl] ethanoate Openeye Name: [2-(5-cyanopent-1-ynyl)-4-[3-(2-hydroxyethylamino)-3-oxo-propyl]-6-methoxy-phenyl] acetate CAS Name: acetic acid [2-(5-cyanopent-1-ynyl)-4-[3-(2-hydroxyethylamino)-3-oxopropyl]-6-methoxyphenyl] ester IUPAC Name: [2-(5-cyanopent-1-ynyl)-4-[3-(2-hydroxyethylamino)-3-oxopropyl]-6-methoxyphenyl] acetate Traditional Name: acetic acid [2-(5-cyanopent-1-ynyl)-4-[3-(2-hydroxyethylamino)-3-keto-propyl]-6-methoxy-phenyl] ester Formula: C20H24N2O5 MolecularWeight: 372.41496

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=C(C=C1C#CCCCC#N)CCC(=O)NCCO)OC

Isomeric SMILES

CC(=O)OC1=C(C=C(C=C1C#CCCCC#N)CCC(=O)NCCO)OC

InChI

InChI=1S/C20H24N2O5/c1-15(24)27-20-17(7-5-3-4-6-10-21)13-16(14-18(20)26-2)8-9-19(25)22-11-12-23/h13-14,23H,3-4,6,8-9,11-12H2,1-2H3,(H,22,25)