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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C2C(=C(OC3=C2C(=O)CCC3)N)C#N)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)[C@H]2C(=C(OC3=C2C(=O)CCC3)N)C#N)OC

InChI

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