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

Systemtic Name: [3-[2-azanyl-3-cyano-7-(dimethylamino)-4H-chromen-4-yl]phenyl] 2-phenylbutanoate Openeye Name: [3-[2-amino-3-cyano-7-(dimethylamino)-4H-chromen-4-yl]phenyl] 2-phenylbutanoate CAS Name: 2-phenylbutanoic 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-phenylbutanoate Traditional Name: 2-phenylbutyric acid [3-[2-amino-3-cyano-7-(dimethylamino)-4H-chromen-4-yl]phenyl] ester Formula: C28H27N3O3 MolecularWeight: 453.53228

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)OC2=CC=CC(=C2)C3C4=C(C=C(C=C4)N(C)C)OC(=C3C#N)N

Isomeric SMILES

CCC(C1=CC=CC=C1)C(=O)OC2=CC=CC(=C2)C3C4=C(C=C(C=C4)N(C)C)OC(=C3C#N)N

InChI

InChI=1S/C28H27N3O3/c1-4-22(18-9-6-5-7-10-18)28(32)33-21-12-8-11-19(15-21)26-23-14-13-20(31(2)3)16-25(23)34-27(30)24(26)17-29/h5-16,22,26H,4,30H2,1-3H3