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

Systemtic Name: 2-azanyl-4-[4-[(2-chloranyl-6-fluoranyl-phenyl)methoxy]-3-ethoxy-phenyl]-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-chromene-3-carbonitrile Openeye Name: 2-amino-4-[4-[(2-chloro-6-fluoro-phenyl)methoxy]-3-ethoxy-phenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile CAS Name: 2-amino-4-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-ethoxyphenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-1-benzopyran-3-carbonitrile IUPAC Name: 2-amino-4-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-ethoxyphenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile Traditional Name: 2-amino-4-[4-(2-chloro-6-fluoro-benzyl)oxy-3-ethoxy-phenyl]-5-keto-7,7-dimethyl-6,8-dihydro-4H-chromene-3-carbonitrile Formula: C27H26ClFN2O4 MolecularWeight: 496.957743

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2C(=C(OC3=C2C(=O)CC(C3)(C)C)N)C#N)OCC4=C(C=CC=C4Cl)F

Isomeric SMILES

CCOC1=C(C=CC(=C1)C2C(=C(OC3=C2C(=O)CC(C3)(C)C)N)C#N)OCC4=C(C=CC=C4Cl)F

InChI

InChI=1S/C27H26ClFN2O4/c1-4-33-22-10-15(8-9-21(22)34-14-17-18(28)6-5-7-19(17)29)24-16(13-30)26(31)35-23-12-27(2,3)11-20(32)25(23)24/h5-10,24H,4,11-12,14,31H2,1-3H3