methyl 3-butyl-1H-isochromene-4-carboxylate

Systemtic Name: methyl 3-butyl-1H-isochromene-4-carboxylate Openeye Name: methyl 3-butyl-1H-isochromene-4-carboxylate CAS Name: 3-butyl-1H-2-benzopyran-4-carboxylic acid methyl ester IUPAC Name: methyl 3-butyl-1H-isochromene-4-carboxylate Traditional Name: 3-butyl-1H-isochromene-4-carboxylic acid methyl ester Formula: C15H18O3 MolecularWeight: 246.30162

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C2=CC=CC=C2CO1)C(=O)OC

Isomeric SMILES

CCCCC1=C(C2=CC=CC=C2CO1)C(=O)OC

InChI

InChI=1S/C15H18O3/c1-3-4-9-13-14(15(16)17-2)12-8-6-5-7-11(12)10-18-13/h5-8H,3-4,9-10H2,1-2H3