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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1)C(=O)OCC2=CC=CC=C2)CCC(=O)OC)C(=O)O

Isomeric SMILES

CC1=C(C(=C(N1)C(=O)OCC2=CC=CC=C2)CCC(=O)OC)C(=O)O

InChI

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