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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)NC2CCCN(C2)C(=O)C3=CC=C(C=C3)N.O

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)NC2CCCN(C2)C(=O)C3=CC=C(C=C3)N.O

InChI

InChI=1S/C22H27N3O5.H2O/c1-28-18-11-15(12-19(29-2)20(18)30-3)21(26)24-17-5-4-10-25(13-17)22(27)14-6-8-16(23)9-7-14;/h6-9,11-12,17H,4-5,10,13,23H2,1-3H3,(H,24,26);1H2