2-azanyl-4-[3-[(3,5-dimethylphenoxy)methyl]-4-methoxy-phenyl]-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-chromene-3-carbonitrile

Systemtic Name: 2-azanyl-4-[3-[(3,5-dimethylphenoxy)methyl]-4-methoxy-phenyl]-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-chromene-3-carbonitrile Openeye Name: 2-amino-4-[3-[(3,5-dimethylphenoxy)methyl]-4-methoxy-phenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile CAS Name: 2-amino-4-[3-[(3,5-dimethylphenoxy)methyl]-4-methoxyphenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-1-benzopyran-3-carbonitrile IUPAC Name: 2-amino-4-[3-[(3,5-dimethylphenoxy)methyl]-4-methoxyphenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile Traditional Name: 2-amino-4-[3-[(3,5-dimethylphenoxy)methyl]-4-methoxy-phenyl]-5-keto-7,7-dimethyl-6,8-dihydro-4H-chromene-3-carbonitrile Formula: C28H30N2O4 MolecularWeight: 458.5488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCC2=C(C=CC(=C2)C3C(=C(OC4=C3C(=O)CC(C4)(C)C)N)C#N)OC)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCC2=C(C=CC(=C2)C3C(=C(OC4=C3C(=O)CC(C4)(C)C)N)C#N)OC)C

InChI

InChI=1S/C28H30N2O4/c1-16-8-17(2)10-20(9-16)33-15-19-11-18(6-7-23(19)32-5)25-21(14-29)27(30)34-24-13-28(3,4)12-22(31)26(24)25/h6-11,25H,12-13,15,30H2,1-5H3