(4S)-2-azanyl-4-(3-ethoxy-4-propoxy-phenyl)-7-oxidanyl-4H-chromene-3-carbonitrile

Systemtic Name: (4S)-2-azanyl-4-(3-ethoxy-4-propoxy-phenyl)-7-oxidanyl-4H-chromene-3-carbonitrile Openeye Name: (4S)-2-amino-4-(3-ethoxy-4-propoxy-phenyl)-7-hydroxy-4H-chromene-3-carbonitrile CAS Name: (4S)-2-amino-4-(3-ethoxy-4-propoxyphenyl)-7-hydroxy-4H-1-benzopyran-3-carbonitrile IUPAC Name: (4S)-2-amino-4-(3-ethoxy-4-propoxyphenyl)-7-hydroxy-4H-chromene-3-carbonitrile Traditional Name: (4S)-2-amino-4-(3-ethoxy-4-propoxy-phenyl)-7-hydroxy-4H-chromene-3-carbonitrile Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C2C3=C(C=C(C=C3)O)OC(=C2C#N)N)OCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)[C@H]2C3=C(C=C(C=C3)O)OC(=C2C#N)N)OCC

InChI

InChI=1S/C21H22N2O4/c1-3-9-26-17-8-5-13(10-19(17)25-4-2)20-15-7-6-14(24)11-18(15)27-21(23)16(20)12-22/h5-8,10-11,20,24H,3-4,9,23H2,1-2H3/t20-/m0/s1