2-azanyl-3-(3-methoxy-4-pyrrol-1-yl-phenyl)-2-methyl-propanoic acid; ethanedioic acid

Systemtic Name: 2-azanyl-3-(3-methoxy-4-pyrrol-1-yl-phenyl)-2-methyl-propanoic acid; ethanedioic acid Openeye Name: 2-amino-3-(3-methoxy-4-pyrrol-1-yl-phenyl)-2-methyl-propanoic acid; oxalic acid CAS Name: 2-amino-3-[3-methoxy-4-(1-pyrrolyl)phenyl]-2-methylpropanoic acid; oxalic acid IUPAC Name: 2-amino-3-(3-methoxy-4-pyrrol-1-ylphenyl)-2-methylpropanoic acid; oxalic acid Traditional Name: 2-amino-3-(3-methoxy-4-pyrrol-1-yl-phenyl)-2-methyl-propionic acid; oxalic acid Formula: C17H20N2O7 MolecularWeight: 364.3499

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC(=C(C=C1)N2C=CC=C2)OC)(C(=O)O)N.C(=O)(C(=O)O)O

Isomeric SMILES

CC(CC1=CC(=C(C=C1)N2C=CC=C2)OC)(C(=O)O)N.C(=O)(C(=O)O)O

InChI

InChI=1S/C15H18N2O3.C2H2O4/c1-15(16,14(18)19)10-11-5-6-12(13(9-11)20-2)17-7-3-4-8-17;3-1(4)2(5)6/h3-9H,10,16H2,1-2H3,(H,18,19);(H,3,4)(H,5,6)