4-azanyl-5-chloranyl-2-methoxy-N-(1-phenethylpiperidin-4-yl)benzamide; (E)-but-2-enedioic acid

Systemtic Name: 4-azanyl-5-chloranyl-2-methoxy-N-(1-phenethylpiperidin-4-yl)benzamide; (E)-but-2-enedioic acid Openeye Name: 4-amino-5-chloro-2-methoxy-N-(1-phenethyl-4-piperidyl)benzamide; fumaric acid CAS Name: 4-amino-5-chloro-2-methoxy-N-(1-phenethyl-4-piperidinyl)benzamide; (E)-2-butenedioic acid IUPAC Name: 4-amino-5-chloro-2-methoxy-N-(1-phenethylpiperidin-4-yl)benzamide; (E)-but-2-enedioic acid Traditional Name: 4-amino-5-chloro-2-methoxy-N-(1-phenethyl-4-piperidyl)benzamide; fumaric acid Formula: C25H30ClN3O6 MolecularWeight: 503.9752

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)NC2CCN(CC2)CCC3=CC=CC=C3)Cl)N.C(=CC(=O)O)C(=O)O

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)NC2CCN(CC2)CCC3=CC=CC=C3)Cl)N.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C21H26ClN3O2.C4H4O4/c1-27-20-14-19(23)18(22)13-17(20)21(26)24-16-8-11-25(12-9-16)10-7-15-5-3-2-4-6-15;5-3(6)1-2-4(7)8/h2-6,13-14,16H,7-12,23H2,1H3,(H,24,26);1-2H,(H,5,6)(H,7,8)/b;2-1+