(4S)-2-azanyl-4-(4-butoxy-3-methoxy-phenyl)-8-oxidanylidene-4,5,6,7-tetrahydrochromene-3-carbonitrile

Systemtic Name: (4S)-2-azanyl-4-(4-butoxy-3-methoxy-phenyl)-8-oxidanylidene-4,5,6,7-tetrahydrochromene-3-carbonitrile Openeye Name: (4S)-2-amino-4-(4-butoxy-3-methoxy-phenyl)-8-oxo-4,5,6,7-tetrahydrochromene-3-carbonitrile CAS Name: (4S)-2-amino-4-(4-butoxy-3-methoxyphenyl)-8-oxo-4,5,6,7-tetrahydro-1-benzopyran-3-carbonitrile IUPAC Name: (4S)-2-amino-4-(4-butoxy-3-methoxyphenyl)-8-oxo-4,5,6,7-tetrahydrochromene-3-carbonitrile Traditional Name: (4S)-2-amino-4-(4-butoxy-3-methoxy-phenyl)-8-keto-4,5,6,7-tetrahydrochromene-3-carbonitrile Formula: C21H24N2O4 MolecularWeight: 368.42626

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C2C3=C(C(=O)CCC3)OC(=C2C#N)N)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)[C@H]2C3=C(C(=O)CCC3)OC(=C2C#N)N)OC

InChI

InChI=1S/C21H24N2O4/c1-3-4-10-26-17-9-8-13(11-18(17)25-2)19-14-6-5-7-16(24)20(14)27-21(23)15(19)12-22/h8-9,11,19H,3-7,10,23H2,1-2H3/t19-/m0/s1