N,N-diethyl-4-[(3-oxidanyl-1-propyl-piperidin-4-yl)-phenyl-amino]benzamide; ethanedioic acid; hydrate

Systemtic Name: N,N-diethyl-4-[(3-oxidanyl-1-propyl-piperidin-4-yl)-phenyl-amino]benzamide; ethanedioic acid; hydrate Openeye Name: N,N-diethyl-4-(N-(3-hydroxy-1-propyl-4-piperidyl)anilino)benzamide; oxalic acid; hydrate CAS Name: N,N-diethyl-4-(N-(3-hydroxy-1-propyl-4-piperidinyl)anilino)benzamide; oxalic acid; hydrate IUPAC Name: N,N-diethyl-4-(N-(3-hydroxy-1-propylpiperidin-4-yl)anilino)benzamide; oxalic acid; hydrate Traditional Name: N,N-diethyl-4-(N-(3-hydroxy-1-propyl-4-piperidyl)anilino)benzamide; oxalic acid; hydrate Formula: C27H39N3O7 MolecularWeight: 517.61446

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCC(C(C1)O)N(C2=CC=CC=C2)C3=CC=C(C=C3)C(=O)N(CC)CC.C(=O)(C(=O)O)O.O

Isomeric SMILES

CCCN1CCC(C(C1)O)N(C2=CC=CC=C2)C3=CC=C(C=C3)C(=O)N(CC)CC.C(=O)(C(=O)O)O.O

InChI

InChI=1S/C25H35N3O2.C2H2O4.H2O/c1-4-17-26-18-16-23(24(29)19-26)28(21-10-8-7-9-11-21)22-14-12-20(13-15-22)25(30)27(5-2)6-3;3-1(4)2(5)6;/h7-15,23-24,29H,4-6,16-19H2,1-3H3;(H,3,4)(H,5,6);1H2