4-[(Z)-[4-methoxycarbonyl-5-methyl-2-oxidanylidene-1-(oxolan-2-ylmethyl)pyrrol-3-ylidene]methyl]benzoic acid

Systemtic Name: 4-[(Z)-[4-methoxycarbonyl-5-methyl-2-oxidanylidene-1-(oxolan-2-ylmethyl)pyrrol-3-ylidene]methyl]benzoic acid Openeye Name: 4-[(Z)-[4-methoxycarbonyl-5-methyl-2-oxo-1-(tetrahydrofuran-2-ylmethyl)pyrrol-3-ylidene]methyl]benzoic acid CAS Name: 4-[(Z)-[4-methoxycarbonyl-5-methyl-2-oxo-1-(2-oxolanylmethyl)-3-pyrrolylidene]methyl]benzoic acid IUPAC Name: 4-[(Z)-[4-methoxycarbonyl-5-methyl-2-oxo-1-(oxolan-2-ylmethyl)pyrrol-3-ylidene]methyl]benzoic acid Traditional Name: 4-[(Z)-[4-carbomethoxy-2-keto-5-methyl-1-(tetrahydrofurfuryl)-2-pyrrolin-3-ylidene]methyl]benzoic acid Formula: C20H21NO6 MolecularWeight: 371.38384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC2=CC=C(C=C2)C(=O)O)C(=O)N1CC3CCCO3)C(=O)OC

Isomeric SMILES

CC1=C(/C(=C/C2=CC=C(C=C2)C(=O)O)/C(=O)N1CC3CCCO3)C(=O)OC

InChI

InChI=1S/C20H21NO6/c1-12-17(20(25)26-2)16(10-13-5-7-14(8-6-13)19(23)24)18(22)21(12)11-15-4-3-9-27-15/h5-8,10,15H,3-4,9,11H2,1-2H3,(H,23,24)/b16-10-