4-[[4,7-dimethyl-2-oxidanylidene-3-(phenylmethyl)chromen-5-yl]oxymethyl]benzenecarbonitrile

Systemtic Name: 4-[[4,7-dimethyl-2-oxidanylidene-3-(phenylmethyl)chromen-5-yl]oxymethyl]benzenecarbonitrile Openeye Name: 4-[(3-benzyl-4,7-dimethyl-2-oxo-chromen-5-yl)oxymethyl]benzonitrile CAS Name: 4-[[4,7-dimethyl-2-oxo-3-(phenylmethyl)-1-benzopyran-5-yl]oxymethyl]benzonitrile IUPAC Name: 4-[(3-benzyl-4,7-dimethyl-2-oxochromen-5-yl)oxymethyl]benzonitrile Traditional Name: 4-[(3-benzyl-2-keto-4,7-dimethyl-chromen-5-yl)oxymethyl]benzonitrile Formula: C26H21NO3 MolecularWeight: 395.44984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C(C(=O)O2)CC3=CC=CC=C3)C)C(=C1)OCC4=CC=C(C=C4)C#N

Isomeric SMILES

CC1=CC2=C(C(=C(C(=O)O2)CC3=CC=CC=C3)C)C(=C1)OCC4=CC=C(C=C4)C#N

InChI

InChI=1S/C26H21NO3/c1-17-12-23(29-16-21-10-8-20(15-27)9-11-21)25-18(2)22(26(28)30-24(25)13-17)14-19-6-4-3-5-7-19/h3-13H,14,16H2,1-2H3