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

Systemtic Name: (4S)-2-azanyl-4-(2-butoxyphenyl)-5-oxidanylidene-4,6,7,8-tetrahydrochromene-3-carbonitrile Openeye Name: (4S)-2-amino-4-(2-butoxyphenyl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile CAS Name: (4S)-2-amino-4-(2-butoxyphenyl)-5-oxo-4,6,7,8-tetrahydro-1-benzopyran-3-carbonitrile IUPAC Name: (4S)-2-amino-4-(2-butoxyphenyl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile Traditional Name: (4S)-2-amino-4-(2-butoxyphenyl)-5-keto-4,6,7,8-tetrahydrochromene-3-carbonitrile Formula: C20H22N2O3 MolecularWeight: 338.40028

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC=C1C2C(=C(OC3=C2C(=O)CCC3)N)C#N

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O3/c1-2-3-11-24-16-9-5-4-7-13(16)18-14(12-21)20(22)25-17-10-6-8-15(23)19(17)18/h4-5,7,9,18H,2-3,6,8,10-11,22H2,1H3/t18-/m0/s1