3-cyanopropyl 4-[(4-methyl-2-oxidanylidene-chromen-7-yl)oxymethyl]benzoate

Systemtic Name: 3-cyanopropyl 4-[(4-methyl-2-oxidanylidene-chromen-7-yl)oxymethyl]benzoate Openeye Name: 3-cyanopropyl 4-[(4-methyl-2-oxo-chromen-7-yl)oxymethyl]benzoate CAS Name: 4-[(4-methyl-2-oxo-1-benzopyran-7-yl)oxymethyl]benzoic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 4-[(4-methyl-2-oxochromen-7-yl)oxymethyl]benzoate Traditional Name: 4-[(2-keto-4-methyl-chromen-7-yl)oxymethyl]benzoic acid 3-cyanopropyl ester Formula: C22H19NO5 MolecularWeight: 377.38996

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2)OCC3=CC=C(C=C3)C(=O)OCCCC#N

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)OCC3=CC=C(C=C3)C(=O)OCCCC#N

InChI

InChI=1S/C22H19NO5/c1-15-12-21(24)28-20-13-18(8-9-19(15)20)27-14-16-4-6-17(7-5-16)22(25)26-11-3-2-10-23/h4-9,12-13H,2-3,11,14H2,1H3