[3-[2-azanyl-3-cyano-7-(dimethylamino)-4H-chromen-4-yl]phenyl] 2-methylbutanoate

Systemtic Name: [3-[2-azanyl-3-cyano-7-(dimethylamino)-4H-chromen-4-yl]phenyl] 2-methylbutanoate Openeye Name: [3-[2-amino-3-cyano-7-(dimethylamino)-4H-chromen-4-yl]phenyl] 2-methylbutanoate CAS Name: 2-methylbutanoic acid [3-[2-amino-3-cyano-7-(dimethylamino)-4H-1-benzopyran-4-yl]phenyl] ester IUPAC Name: [3-[2-amino-3-cyano-7-(dimethylamino)-4H-chromen-4-yl]phenyl] 2-methylbutanoate Traditional Name: 2-methylbutyric acid [3-[2-amino-3-cyano-7-(dimethylamino)-4H-chromen-4-yl]phenyl] ester Formula: C23H25N3O3 MolecularWeight: 391.4629

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(=O)OC1=CC=CC(=C1)C2C3=C(C=C(C=C3)N(C)C)OC(=C2C#N)N

Isomeric SMILES

CCC(C)C(=O)OC1=CC=CC(=C1)C2C3=C(C=C(C=C3)N(C)C)OC(=C2C#N)N

InChI

InChI=1S/C23H25N3O3/c1-5-14(2)23(27)28-17-8-6-7-15(11-17)21-18-10-9-16(26(3)4)12-20(18)29-22(25)19(21)13-24/h6-12,14,21H,5,25H2,1-4H3