[5-chloranyl-2-oxidanylidene-3-(phenylmethyl)chromen-4-yl] 4-methylpentanoate

Systemtic Name: [5-chloranyl-2-oxidanylidene-3-(phenylmethyl)chromen-4-yl] 4-methylpentanoate Openeye Name: (3-benzyl-5-chloro-2-oxo-chromen-4-yl) 4-methylpentanoate CAS Name: 4-methylpentanoic acid [5-chloro-2-oxo-3-(phenylmethyl)-1-benzopyran-4-yl] ester IUPAC Name: (3-benzyl-5-chloro-2-oxochromen-4-yl) 4-methylpentanoate Traditional Name: 4-methylvaleric acid (3-benzyl-5-chloro-2-keto-chromen-4-yl) ester Formula: C22H21ClO4 MolecularWeight: 384.85274

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(=O)OC1=C(C(=O)OC2=C1C(=CC=C2)Cl)CC3=CC=CC=C3

Isomeric SMILES

CC(C)CCC(=O)OC1=C(C(=O)OC2=C1C(=CC=C2)Cl)CC3=CC=CC=C3

InChI

InChI=1S/C22H21ClO4/c1-14(2)11-12-19(24)27-21-16(13-15-7-4-3-5-8-15)22(25)26-18-10-6-9-17(23)20(18)21/h3-10,14H,11-13H2,1-2H3