2-[4-(3-methoxy-3-oxidanylidene-propyl)-2-methyl-5-phenylmethoxycarbonyl-1H-pyrrol-3-yl]ethanoic acid

Systemtic Name: 2-[4-(3-methoxy-3-oxidanylidene-propyl)-2-methyl-5-phenylmethoxycarbonyl-1H-pyrrol-3-yl]ethanoic acid Openeye Name: 2-[5-benzyloxycarbonyl-4-(3-methoxy-3-oxo-propyl)-2-methyl-1H-pyrrol-3-yl]acetic acid CAS Name: 2-[4-(3-methoxy-3-oxopropyl)-2-methyl-5-phenylmethoxycarbonyl-1H-pyrrol-3-yl]acetic acid IUPAC Name: 2-[4-(3-methoxy-3-oxopropyl)-2-methyl-5-phenylmethoxycarbonyl-1H-pyrrol-3-yl]acetic acid Traditional Name: 2-[5-carbobenzoxy-4-(3-keto-3-methoxy-propyl)-2-methyl-1H-pyrrol-3-yl]acetic acid Formula: C19H21NO6 MolecularWeight: 359.37314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21NO6/c1-12-15(10-16(21)22)14(8-9-17(23)25-2)18(20-12)19(24)26-11-13-6-4-3-5-7-13/h3-7,20H,8-11H2,1-2H3,(H,21,22)