[4-[2-azanyl-3-cyano-7-(dimethylamino)-4H-benzo[h]chromen-4-yl]-2,6-dimethoxy-phenyl] ethanoate

Systemtic Name: [4-[2-azanyl-3-cyano-7-(dimethylamino)-4H-benzo[h]chromen-4-yl]-2,6-dimethoxy-phenyl] ethanoate Openeye Name: [4-[2-amino-3-cyano-7-(dimethylamino)-4H-benzo[h]chromen-4-yl]-2,6-dimethoxy-phenyl] acetate CAS Name: acetic acid [4-[2-amino-3-cyano-7-(dimethylamino)-4H-benzo[h][1]benzopyran-4-yl]-2,6-dimethoxyphenyl] ester IUPAC Name: [4-[2-amino-3-cyano-7-(dimethylamino)-4H-benzo[h]chromen-4-yl]-2,6-dimethoxyphenyl] acetate Traditional Name: acetic acid [4-[2-amino-3-cyano-7-(dimethylamino)-4H-benzo[h]chromen-4-yl]-2,6-dimethoxy-phenyl] ester Formula: C26H25N3O5 MolecularWeight: 459.4938

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=C(C=C1OC)C2C3=C(C4=C(C=C3)C(=CC=C4)N(C)C)OC(=C2C#N)N)OC

Isomeric SMILES

CC(=O)OC1=C(C=C(C=C1OC)C2C3=C(C4=C(C=C3)C(=CC=C4)N(C)C)OC(=C2C#N)N)OC

InChI

InChI=1S/C26H25N3O5/c1-14(30)33-25-21(31-4)11-15(12-22(25)32-5)23-18-10-9-16-17(7-6-8-20(16)29(2)3)24(18)34-26(28)19(23)13-27/h6-12,23H,28H2,1-5H3