4-acetamido-5-chloranyl-2-methoxy-N-[1-(phenylmethyl)piperidin-4-yl]benzamide; (E)-but-2-enedioic acid

Systemtic Name: 4-acetamido-5-chloranyl-2-methoxy-N-[1-(phenylmethyl)piperidin-4-yl]benzamide; (E)-but-2-enedioic acid Openeye Name: 4-acetamido-N-(1-benzyl-4-piperidyl)-5-chloro-2-methoxy-benzamide; fumaric acid CAS Name: 4-acetamido-5-chloro-2-methoxy-N-[1-(phenylmethyl)-4-piperidinyl]benzamide; (E)-2-butenedioic acid IUPAC Name: 4-acetamido-N-(1-benzylpiperidin-4-yl)-5-chloro-2-methoxybenzamide; (E)-but-2-enedioic acid Traditional Name: 4-acetamido-N-(1-benzyl-4-piperidyl)-5-chloro-2-methoxy-benzamide; fumaric acid Formula: C26H30ClN3O7 MolecularWeight: 531.9853

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C(C(=C1)OC)C(=O)NC2CCN(CC2)CC3=CC=CC=C3)Cl.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC(=O)NC1=C(C=C(C(=C1)OC)C(=O)NC2CCN(CC2)CC3=CC=CC=C3)Cl.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C22H26ClN3O3.C4H4O4/c1-15(27)24-20-13-21(29-2)18(12-19(20)23)22(28)25-17-8-10-26(11-9-17)14-16-6-4-3-5-7-16;5-3(6)1-2-4(7)8/h3-7,12-13,17H,8-11,14H2,1-2H3,(H,24,27)(H,25,28);1-2H,(H,5,6)(H,7,8)/b;2-1+