(4S)-2-azanyl-4-[4-(3-methylbutoxy)phenyl]-7-oxidanyl-4H-chromene-3-carbonitrile

Systemtic Name: (4S)-2-azanyl-4-[4-(3-methylbutoxy)phenyl]-7-oxidanyl-4H-chromene-3-carbonitrile Openeye Name: (4S)-2-amino-7-hydroxy-4-(4-isopentyloxyphenyl)-4H-chromene-3-carbonitrile CAS Name: (4S)-2-amino-7-hydroxy-4-[4-(3-methylbutoxy)phenyl]-4H-1-benzopyran-3-carbonitrile IUPAC Name: (4S)-2-amino-7-hydroxy-4-[4-(3-methylbutoxy)phenyl]-4H-chromene-3-carbonitrile Traditional Name: (4S)-2-amino-7-hydroxy-4-(4-isoamoxyphenyl)-4H-chromene-3-carbonitrile Formula: C21H22N2O3 MolecularWeight: 350.41098

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=CC=C(C=C1)C2C3=C(C=C(C=C3)O)OC(=C2C#N)N

Isomeric SMILES

CC(C)CCOC1=CC=C(C=C1)[C@H]2C3=C(C=C(C=C3)O)OC(=C2C#N)N

InChI

InChI=1S/C21H22N2O3/c1-13(2)9-10-25-16-6-3-14(4-7-16)20-17-8-5-15(24)11-19(17)26-21(23)18(20)12-22/h3-8,11,13,20,24H,9-10,23H2,1-2H3/t20-/m0/s1