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

Systemtic Name: 3,4,5-trimethoxy-N-[1-(4-methylphenyl)carbonylpiperidin-3-yl]benzamide hydrate Openeye Name: 3,4,5-trimethoxy-N-[1-(4-methylbenzoyl)-3-piperidyl]benzamide hydrate CAS Name: 3,4,5-trimethoxy-N-[1-[(4-methylphenyl)-oxomethyl]-3-piperidinyl]benzamide hydrate IUPAC Name: 3,4,5-trimethoxy-N-[1-(4-methylbenzoyl)piperidin-3-yl]benzamide hydrate Traditional Name: 3,4,5-trimethoxy-N-(1-p-toluoyl-3-piperidyl)benzamide hydrate Formula: C23H30N2O6 MolecularWeight: 430.4941

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2CCCC(C2)NC(=O)C3=CC(=C(C(=C3)OC)OC)OC.O

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2CCCC(C2)NC(=O)C3=CC(=C(C(=C3)OC)OC)OC.O

InChI

InChI=1S/C23H28N2O5.H2O/c1-15-7-9-16(10-8-15)23(27)25-11-5-6-18(14-25)24-22(26)17-12-19(28-2)21(30-4)20(13-17)29-3;/h7-10,12-13,18H,5-6,11,14H2,1-4H3,(H,24,26);1H2