but-3-enyl 1-[(E)-2-ethoxycarbonyl-4-oxidanylidene-pent-1-enyl]-1H-isochromene-4-carboxylate

Systemtic Name: but-3-enyl 1-[(E)-2-ethoxycarbonyl-4-oxidanylidene-pent-1-enyl]-1H-isochromene-4-carboxylate Openeye Name: but-3-enyl 1-[(E)-2-ethoxycarbonyl-4-oxo-pent-1-enyl]-1H-isochromene-4-carboxylate CAS Name: 1-[(E)-2-ethoxycarbonyl-4-oxopent-1-enyl]-1H-2-benzopyran-4-carboxylic acid but-3-enyl ester IUPAC Name: but-3-enyl 1-[(E)-2-ethoxycarbonyl-4-oxopent-1-enyl]-1H-isochromene-4-carboxylate Traditional Name: 1-[(E)-2-carbethoxy-4-keto-pent-1-enyl]-1H-isochromene-4-carboxylic acid but-3-enyl ester Formula: C22H24O6 MolecularWeight: 384.42236

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC1C2=CC=CC=C2C(=CO1)C(=O)OCCC=C)CC(=O)C

Isomeric SMILES

CCOC(=O)/C(=C/C1C2=CC=CC=C2C(=CO1)C(=O)OCCC=C)/CC(=O)C

InChI

InChI=1S/C22H24O6/c1-4-6-11-27-22(25)19-14-28-20(18-10-8-7-9-17(18)19)13-16(12-15(3)23)21(24)26-5-2/h4,7-10,13-14,20H,1,5-6,11-12H2,2-3H3/b16-13+