3-azanyl-2-(5-methoxy-1H-indol-3-yl)propanoic acid hydrate

Systemtic Name: 3-azanyl-2-(5-methoxy-1H-indol-3-yl)propanoic acid hydrate Openeye Name: 3-amino-2-(5-methoxy-1H-indol-3-yl)propanoic acid hydrate CAS Name: 3-amino-2-(5-methoxy-1H-indol-3-yl)propanoic acid hydrate IUPAC Name: 3-amino-2-(5-methoxy-1H-indol-3-yl)propanoic acid hydrate Traditional Name: 3-amino-2-(5-methoxy-1H-indol-3-yl)propionic acid hydrate Formula: C12H16N2O4 MolecularWeight: 252.26644

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)NC=C2C(CN)C(=O)O.O

Isomeric SMILES

COC1=CC2=C(C=C1)NC=C2C(CN)C(=O)O.O

InChI

InChI=1S/C12H14N2O3.H2O/c1-17-7-2-3-11-8(4-7)10(6-14-11)9(5-13)12(15)16;/h2-4,6,9,14H,5,13H2,1H3,(H,15,16);1H2