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

Systemtic Name: 2-azanyl-3-(4-methoxy-3-pyrrol-1-yl-phenyl)-2-methyl-propanoic acid; ethanedioic acid; hydrate Openeye Name: 2-amino-3-(4-methoxy-3-pyrrol-1-yl-phenyl)-2-methyl-propanoic acid; oxalic acid; hydrate CAS Name: 2-amino-3-[4-methoxy-3-(1-pyrrolyl)phenyl]-2-methylpropanoic acid; oxalic acid; hydrate IUPAC Name: 2-amino-3-(4-methoxy-3-pyrrol-1-ylphenyl)-2-methylpropanoic acid; oxalic acid; hydrate Traditional Name: 2-amino-3-(4-methoxy-3-pyrrol-1-yl-phenyl)-2-methyl-propionic acid; oxalic acid; hydrate Formula: C17H22N2O8 MolecularWeight: 382.36518

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N2O3.C2H2O4.H2O/c1-15(16,14(18)19)10-11-5-6-13(20-2)12(9-11)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);1H2