3-[[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl]amino]benzamide trihydrate

Systemtic Name: 3-[[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl]amino]benzamide trihydrate Openeye Name: 3-[[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxo-ethyl]amino]benzamide trihydrate CAS Name: 3-[[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]amino]benzamide trihydrate IUPAC Name: 3-[[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]amino]benzamide trihydrate Traditional Name: 3-[[2-(homoveratrylamino)-2-keto-ethyl]amino]benzamide trihydrate Formula: C19H29N3O7 MolecularWeight: 411.44946

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)CNC2=CC=CC(=C2)C(=O)N)OC.O.O.O

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)CNC2=CC=CC(=C2)C(=O)N)OC.O.O.O

InChI

InChI=1S/C19H23N3O4.3H2O/c1-25-16-7-6-13(10-17(16)26-2)8-9-21-18(23)12-22-15-5-3-4-14(11-15)19(20)24;;;/h3-7,10-11,22H,8-9,12H2,1-2H3,(H2,20,24)(H,21,23);3*1H2