[(E)-3-[6-methoxy-7-methyl-4-(methylamino)-3-oxidanylidene-1H-2-benzofuran-5-yl]prop-1-enyl] cycloheptanecarboxylate

Systemtic Name: [(E)-3-[6-methoxy-7-methyl-4-(methylamino)-3-oxidanylidene-1H-2-benzofuran-5-yl]prop-1-enyl] cycloheptanecarboxylate Openeye Name: [(E)-3-[6-methoxy-7-methyl-4-(methylamino)-3-oxo-1H-isobenzofuran-5-yl]prop-1-enyl] cycloheptanecarboxylate CAS Name: cycloheptanecarboxylic acid [(E)-3-[6-methoxy-7-methyl-4-(methylamino)-3-oxo-1H-isobenzofuran-5-yl]prop-1-enyl] ester IUPAC Name: [(E)-3-[6-methoxy-7-methyl-4-(methylamino)-3-oxo-1H-2-benzofuran-5-yl]prop-1-enyl] cycloheptanecarboxylate Traditional Name: cycloheptanecarboxylic acid [(E)-3-[3-keto-6-methoxy-7-methyl-4-(methylamino)phthalan-5-yl]prop-1-enyl] ester Formula: C22H29NO5 MolecularWeight: 387.46936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C2=C1COC2=O)NC)CC=COC(=O)C3CCCCCC3)OC

Isomeric SMILES

CC1=C(C(=C(C2=C1COC2=O)NC)C/C=C/OC(=O)C3CCCCCC3)OC

InChI

InChI=1S/C22H29NO5/c1-14-17-13-28-22(25)18(17)19(23-2)16(20(14)26-3)11-8-12-27-21(24)15-9-6-4-5-7-10-15/h8,12,15,23H,4-7,9-11,13H2,1-3H3/b12-8+