3-azanyl-4-oxidanylidene-8-[4-(4-phenylbutoxy)phenyl]carbonyl-chromene-2-carbonitrile

Systemtic Name: 3-azanyl-4-oxidanylidene-8-[4-(4-phenylbutoxy)phenyl]carbonyl-chromene-2-carbonitrile Openeye Name: 3-amino-4-oxo-8-[4-(4-phenylbutoxy)benzoyl]chromene-2-carbonitrile CAS Name: 3-amino-4-oxo-8-[oxo-[4-(4-phenylbutoxy)phenyl]methyl]-1-benzopyran-2-carbonitrile IUPAC Name: 3-amino-4-oxo-8-[4-(4-phenylbutoxy)benzoyl]chromene-2-carbonitrile Traditional Name: 3-amino-4-keto-8-[4-(4-phenylbutoxy)benzoyl]chromene-2-carbonitrile Formula: C27H22N2O4 MolecularWeight: 438.47458

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCOC2=CC=C(C=C2)C(=O)C3=CC=CC4=C3OC(=C(C4=O)N)C#N

Isomeric SMILES

C1=CC=C(C=C1)CCCCOC2=CC=C(C=C2)C(=O)C3=CC=CC4=C3OC(=C(C4=O)N)C#N

InChI

InChI=1S/C27H22N2O4/c28-17-23-24(29)26(31)22-11-6-10-21(27(22)33-23)25(30)19-12-14-20(15-13-19)32-16-5-4-9-18-7-2-1-3-8-18/h1-3,6-8,10-15H,4-5,9,16,29H2