(4S)-2-azanyl-4-[2-[(4-bromophenyl)methoxy]phenyl]-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-chromene-3-carbonitrile

Systemtic Name: (4S)-2-azanyl-4-[2-[(4-bromophenyl)methoxy]phenyl]-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-chromene-3-carbonitrile Openeye Name: (4S)-2-amino-4-[2-[(4-bromophenyl)methoxy]phenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile CAS Name: (4S)-2-amino-4-[2-[(4-bromophenyl)methoxy]phenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-1-benzopyran-3-carbonitrile IUPAC Name: (4S)-2-amino-4-[2-[(4-bromophenyl)methoxy]phenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile Traditional Name: (4S)-2-amino-4-[2-(4-bromobenzyl)oxyphenyl]-5-keto-7,7-dimethyl-6,8-dihydro-4H-chromene-3-carbonitrile Formula: C25H23BrN2O3 MolecularWeight: 479.36572

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(C(=C(O2)N)C#N)C3=CC=CC=C3OCC4=CC=C(C=C4)Br)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C([C@H](C(=C(O2)N)C#N)C3=CC=CC=C3OCC4=CC=C(C=C4)Br)C(=O)C1)C

InChI

InChI=1S/C25H23BrN2O3/c1-25(2)11-19(29)23-21(12-25)31-24(28)18(13-27)22(23)17-5-3-4-6-20(17)30-14-15-7-9-16(26)10-8-15/h3-10,22H,11-12,14,28H2,1-2H3/t22-/m0/s1