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

Systemtic Name: 2-[(E)-3-[6-(methoxymethyl)-7-methyl-4-(methylamino)-3-oxidanylidene-1H-2-benzofuran-5-yl]prop-1-enyl]cycloheptane-1-carboxylate Openeye Name: 2-[(E)-3-[6-(methoxymethyl)-7-methyl-4-(methylamino)-3-oxo-1H-isobenzofuran-5-yl]prop-1-enyl]cycloheptanecarboxylate CAS Name: 2-[(E)-3-[6-(methoxymethyl)-7-methyl-4-(methylamino)-3-oxo-1H-isobenzofuran-5-yl]prop-1-enyl]-1-cycloheptanecarboxylate IUPAC Name: 2-[(E)-3-[6-(methoxymethyl)-7-methyl-4-(methylamino)-3-oxo-1H-2-benzofuran-5-yl]prop-1-enyl]cycloheptane-1-carboxylate Traditional Name: 2-[(E)-3-[3-keto-6-(methoxymethyl)-7-methyl-4-(methylamino)phthalan-5-yl]prop-1-enyl]cycloheptanecarboxylate Formula: C23H30NO5- MolecularWeight: 400.488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C2=C1COC2=O)NC)CC=CC3CCCCCC3C(=O)[O-])COC

Isomeric SMILES

CC1=C(C(=C(C2=C1COC2=O)NC)C/C=C/C3CCCCCC3C(=O)[O-])COC

InChI

InChI=1S/C23H31NO5/c1-14-18(12-28-3)17(21(24-2)20-19(14)13-29-23(20)27)11-7-9-15-8-5-4-6-10-16(15)22(25)26/h7,9,15-16,24H,4-6,8,10-13H2,1-3H3,(H,25,26)/p-1/b9-7+