2-dimethylaminoethyl 2-(4-imidazo[1,2-a]pyridin-2-ylphenyl)propanoate; iodanylmethane; hydrate

Systemtic Name: 2-dimethylaminoethyl 2-(4-imidazo[1,2-a]pyridin-2-ylphenyl)propanoate; iodanylmethane; hydrate Openeye Name: 2-dimethylaminoethyl 2-(4-imidazo[1,2-a]pyridin-2-ylphenyl)propanoate; iodomethane; hydrate CAS Name: 2-[4-(2-imidazo[1,2-a]pyridinyl)phenyl]propanoic acid 2-dimethylaminoethyl ester; iodomethane; hydrate IUPAC Name: 2-dimethylaminoethyl 2-(4-imidazo[1,2-a]pyridin-2-ylphenyl)propanoate; iodomethane; hydrate Traditional Name: 2-(4-imidazo[1,2-a]pyridin-2-ylphenyl)propionic acid 2-dimethylaminoethyl ester; iodomethane; hydrate Formula: C21H28IN3O3 MolecularWeight: 497.36979

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)C2=CN3C=CC=CC3=N2)C(=O)OCCN(C)C.CI.O

Isomeric SMILES

CC(C1=CC=C(C=C1)C2=CN3C=CC=CC3=N2)C(=O)OCCN(C)C.CI.O

InChI

InChI=1S/C20H23N3O2.CH3I.H2O/c1-15(20(24)25-13-12-22(2)3)16-7-9-17(10-8-16)18-14-23-11-5-4-6-19(23)21-18;1-2;/h4-11,14-15H,12-13H2,1-3H3;1H3;1H2