(7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl 1-(4-chlorophenyl)cyclopentane-1-carboxylate

Systemtic Name: (7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl 1-(4-chlorophenyl)cyclopentane-1-carboxylate Openeye Name: (6-isopropyl-7-methyl-2-oxo-chromen-4-yl)methyl 1-(4-chlorophenyl)cyclopentanecarboxylate CAS Name: 1-(4-chlorophenyl)-1-cyclopentanecarboxylic acid (7-methyl-2-oxo-6-propan-2-yl-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methyl 1-(4-chlorophenyl)cyclopentane-1-carboxylate Traditional Name: 1-(4-chlorophenyl)cyclopentanecarboxylic acid (6-isopropyl-2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C26H27ClO4 MolecularWeight: 438.94318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3(CCCC3)C4=CC=C(C=C4)Cl)C(C)C

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3(CCCC3)C4=CC=C(C=C4)Cl)C(C)C

InChI

InChI=1S/C26H27ClO4/c1-16(2)21-14-22-18(13-24(28)31-23(22)12-17(21)3)15-30-25(29)26(10-4-5-11-26)19-6-8-20(27)9-7-19/h6-9,12-14,16H,4-5,10-11,15H2,1-3H3