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

Systemtic Name: 2-[(E)-3-[6-methoxy-7-methyl-4-(methylamino)-3-oxidanylidene-1H-2-benzofuran-5-yl]prop-1-enyl]cycloheptene-1-carboxylic acid Openeye Name: 2-[(E)-3-[6-methoxy-7-methyl-4-(methylamino)-3-oxo-1H-isobenzofuran-5-yl]prop-1-enyl]cycloheptene-1-carboxylic acid CAS Name: 2-[(E)-3-[6-methoxy-7-methyl-4-(methylamino)-3-oxo-1H-isobenzofuran-5-yl]prop-1-enyl]-1-cycloheptenecarboxylic acid IUPAC Name: 2-[(E)-3-[6-methoxy-7-methyl-4-(methylamino)-3-oxo-1H-2-benzofuran-5-yl]prop-1-enyl]cycloheptene-1-carboxylic acid Traditional Name: 2-[(E)-3-[3-keto-6-methoxy-7-methyl-4-(methylamino)phthalan-5-yl]prop-1-enyl]cycloheptene-1-carboxylic acid Formula: C22H27NO5 MolecularWeight: 385.45348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C2=C1COC2=O)NC)CC=CC3=C(CCCCC3)C(=O)O)OC

Isomeric SMILES

CC1=C(C(=C(C2=C1COC2=O)NC)C/C=C/C3=C(CCCCC3)C(=O)O)OC

InChI

InChI=1S/C22H27NO5/c1-13-17-12-28-22(26)18(17)19(23-2)16(20(13)27-3)11-7-9-14-8-5-4-6-10-15(14)21(24)25/h7,9,23H,4-6,8,10-12H2,1-3H3,(H,24,25)/b9-7+