3-azanyl-4-oxidanylidene-5-[4-(3-phenylbutoxy)phenyl]carbonyl-chromene-2-carbonitrile

Systemtic Name: 3-azanyl-4-oxidanylidene-5-[4-(3-phenylbutoxy)phenyl]carbonyl-chromene-2-carbonitrile Openeye Name: 3-amino-4-oxo-5-[4-(3-phenylbutoxy)benzoyl]chromene-2-carbonitrile CAS Name: 3-amino-4-oxo-5-[oxo-[4-(3-phenylbutoxy)phenyl]methyl]-1-benzopyran-2-carbonitrile IUPAC Name: 3-amino-4-oxo-5-[4-(3-phenylbutoxy)benzoyl]chromene-2-carbonitrile Traditional Name: 3-amino-4-keto-5-[4-(3-phenylbutoxy)benzoyl]chromene-2-carbonitrile Formula: C27H22N2O4 MolecularWeight: 438.47458

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCOC1=CC=C(C=C1)C(=O)C2=C3C(=CC=C2)OC(=C(C3=O)N)C#N)C4=CC=CC=C4

Isomeric SMILES

CC(CCOC1=CC=C(C=C1)C(=O)C2=C3C(=CC=C2)OC(=C(C3=O)N)C#N)C4=CC=CC=C4

InChI

InChI=1S/C27H22N2O4/c1-17(18-6-3-2-4-7-18)14-15-32-20-12-10-19(11-13-20)26(30)21-8-5-9-22-24(21)27(31)25(29)23(16-28)33-22/h2-13,17H,14-15,29H2,1H3