(4-methyl-2-oxidanylidene-chromen-7-yl) 4-butylcyclohexane-1-carboxylate

Systemtic Name: (4-methyl-2-oxidanylidene-chromen-7-yl) 4-butylcyclohexane-1-carboxylate Openeye Name: (4-methyl-2-oxo-chromen-7-yl) 4-butylcyclohexanecarboxylate CAS Name: 4-butyl-1-cyclohexanecarboxylic acid (4-methyl-2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (4-methyl-2-oxochromen-7-yl) 4-butylcyclohexane-1-carboxylate Traditional Name: 4-butylcyclohexanecarboxylic acid (2-keto-4-methyl-chromen-7-yl) ester Formula: C21H26O4 MolecularWeight: 342.42874

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCC(CC1)C(=O)OC2=CC3=C(C=C2)C(=CC(=O)O3)C

Isomeric SMILES

CCCCC1CCC(CC1)C(=O)OC2=CC3=C(C=C2)C(=CC(=O)O3)C

InChI

InChI=1S/C21H26O4/c1-3-4-5-15-6-8-16(9-7-15)21(23)24-17-10-11-18-14(2)12-20(22)25-19(18)13-17/h10-13,15-16H,3-9H2,1-2H3