(3-cyanophenyl)methyl 9H-xanthene-9-carboxylate

Systemtic Name: (3-cyanophenyl)methyl 9H-xanthene-9-carboxylate Openeye Name: (3-cyanophenyl)methyl 9H-xanthene-9-carboxylate CAS Name: 9H-xanthene-9-carboxylic acid (3-cyanophenyl)methyl ester IUPAC Name: (3-cyanophenyl)methyl 9H-xanthene-9-carboxylate Traditional Name: 9H-xanthene-9-carboxylic acid (3-cyanobenzyl) ester Formula: C22H15NO3 MolecularWeight: 341.3594

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(C3=CC=CC=C3O2)C(=O)OCC4=CC=CC(=C4)C#N

Isomeric SMILES

C1=CC=C2C(=C1)C(C3=CC=CC=C3O2)C(=O)OCC4=CC=CC(=C4)C#N

InChI

InChI=1S/C22H15NO3/c23-13-15-6-5-7-16(12-15)14-25-22(24)21-17-8-1-3-10-19(17)26-20-11-4-2-9-18(20)21/h1-12,21H,14H2