N-[1-(4-aminophenyl)carbonylpiperidin-2-yl]-3,4,5-trimethoxy-benzamide hydrate

Systemtic Name: N-[1-(4-aminophenyl)carbonylpiperidin-2-yl]-3,4,5-trimethoxy-benzamide hydrate Openeye Name: N-[1-(4-aminobenzoyl)-2-piperidyl]-3,4,5-trimethoxy-benzamide hydrate CAS Name: N-[1-[(4-aminophenyl)-oxomethyl]-2-piperidinyl]-3,4,5-trimethoxybenzamide hydrate IUPAC Name: N-[1-(4-aminobenzoyl)piperidin-2-yl]-3,4,5-trimethoxybenzamide hydrate Traditional Name: N-[1-(4-aminobenzoyl)-2-piperidyl]-3,4,5-trimethoxy-benzamide hydrate Formula: C22H29N3O6 MolecularWeight: 431.48216

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)NC2CCCCN2C(=O)C3=CC=C(C=C3)N.O

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)NC2CCCCN2C(=O)C3=CC=C(C=C3)N.O

InChI

InChI=1S/C22H27N3O5.H2O/c1-28-17-12-15(13-18(29-2)20(17)30-3)21(26)24-19-6-4-5-11-25(19)22(27)14-7-9-16(23)10-8-14;/h7-10,12-13,19H,4-6,11,23H2,1-3H3,(H,24,26);1H2