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

Systemtic Name: methyl 1-butyl-3-phenyl-1H-isochromene-4-carboxylate Openeye Name: methyl 1-butyl-3-phenyl-1H-isochromene-4-carboxylate CAS Name: 1-butyl-3-phenyl-1H-2-benzopyran-4-carboxylic acid methyl ester IUPAC Name: methyl 1-butyl-3-phenyl-1H-isochromene-4-carboxylate Traditional Name: 1-butyl-3-phenyl-1H-isochromene-4-carboxylic acid methyl ester Formula: C21H22O3 MolecularWeight: 322.39758

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C2=CC=CC=C2C(=C(O1)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CCCCC1C2=CC=CC=C2C(=C(O1)C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C21H22O3/c1-3-4-14-18-16-12-8-9-13-17(16)19(21(22)23-2)20(24-18)15-10-6-5-7-11-15/h5-13,18H,3-4,14H2,1-2H3