ethanedioic acid; N-[4-(4-methyl-1,3-thiazol-2-yl)-1-(phenylmethyl)piperidin-4-yl]-N-phenyl-propanamide

Systemtic Name: ethanedioic acid; N-[4-(4-methyl-1,3-thiazol-2-yl)-1-(phenylmethyl)piperidin-4-yl]-N-phenyl-propanamide Openeye Name: N-[1-benzyl-4-(4-methylthiazol-2-yl)-4-piperidyl]-N-phenyl-propanamide; oxalic acid CAS Name: N-[4-(4-methyl-2-thiazolyl)-1-(phenylmethyl)-4-piperidinyl]-N-phenylpropanamide; oxalic acid IUPAC Name: N-[1-benzyl-4-(4-methyl-1,3-thiazol-2-yl)piperidin-4-yl]-N-phenylpropanamide; oxalic acid Traditional Name: N-[1-benzyl-4-(4-methylthiazol-2-yl)-4-piperidyl]-N-phenyl-propionamide; oxalic acid Formula: C27H31N3O5S MolecularWeight: 509.61714

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N(C1=CC=CC=C1)C2(CCN(CC2)CC3=CC=CC=C3)C4=NC(=CS4)C.C(=O)(C(=O)O)O

Isomeric SMILES

CCC(=O)N(C1=CC=CC=C1)C2(CCN(CC2)CC3=CC=CC=C3)C4=NC(=CS4)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C25H29N3OS.C2H2O4/c1-3-23(29)28(22-12-8-5-9-13-22)25(24-26-20(2)19-30-24)14-16-27(17-15-25)18-21-10-6-4-7-11-21;3-1(4)2(5)6/h4-13,19H,3,14-18H2,1-2H3;(H,3,4)(H,5,6)