3-(3-methoxy-3-oxidanylidene-propyl)-4-methyl-5-phenylmethoxycarbonyl-1H-pyrrole-2-carboxylic acid

Systemtic Name: 3-(3-methoxy-3-oxidanylidene-propyl)-4-methyl-5-phenylmethoxycarbonyl-1H-pyrrole-2-carboxylic acid Openeye Name: 5-benzyloxycarbonyl-3-(3-methoxy-3-oxo-propyl)-4-methyl-1H-pyrrole-2-carboxylic acid CAS Name: 3-(3-methoxy-3-oxopropyl)-4-methyl-5-phenylmethoxycarbonyl-1H-pyrrole-2-carboxylic acid IUPAC Name: 3-(3-methoxy-3-oxopropyl)-4-methyl-5-phenylmethoxycarbonyl-1H-pyrrole-2-carboxylic acid Traditional Name: 5-carbobenzoxy-3-(3-keto-3-methoxy-propyl)-4-methyl-1H-pyrrole-2-carboxylic acid Formula: C18H19NO6 MolecularWeight: 345.34656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1CCC(=O)OC)C(=O)O)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC1=C(NC(=C1CCC(=O)OC)C(=O)O)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C18H19NO6/c1-11-13(8-9-14(20)24-2)16(17(21)22)19-15(11)18(23)25-10-12-6-4-3-5-7-12/h3-7,19H,8-10H2,1-2H3,(H,21,22)