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

Systemtic Name: 2-azanyl-4-[3-[(4-chloranyl-2-methyl-phenoxy)methyl]-2,5-dimethyl-phenyl]-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-chromene-3-carbonitrile Openeye Name: 2-amino-4-[3-[(4-chloro-2-methyl-phenoxy)methyl]-2,5-dimethyl-phenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile CAS Name: 2-amino-4-[3-[(4-chloro-2-methylphenoxy)methyl]-2,5-dimethylphenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-1-benzopyran-3-carbonitrile IUPAC Name: 2-amino-4-[3-[(4-chloro-2-methylphenoxy)methyl]-2,5-dimethylphenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile Traditional Name: 2-amino-4-[3-[(4-chloro-2-methyl-phenoxy)methyl]-2,5-dimethyl-phenyl]-5-keto-7,7-dimethyl-6,8-dihydro-4H-chromene-3-carbonitrile Formula: C28H29ClN2O3 MolecularWeight: 476.99446

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C2C(=C(OC3=C2C(=O)CC(C3)(C)C)N)C#N)C)COC4=C(C=C(C=C4)Cl)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C2C(=C(OC3=C2C(=O)CC(C3)(C)C)N)C#N)C)COC4=C(C=C(C=C4)Cl)C

InChI

InChI=1S/C28H29ClN2O3/c1-15-8-18(14-33-23-7-6-19(29)10-16(23)2)17(3)20(9-15)25-21(13-30)27(31)34-24-12-28(4,5)11-22(32)26(24)25/h6-10,25H,11-12,14,31H2,1-5H3