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

Systemtic Name: 4-azanyl-5-chloranyl-2-ethoxy-N-methyl-N-[1-(phenylmethyl)piperidin-4-yl]benzamide; (E)-but-2-enedioic acid Openeye Name: 4-amino-N-(1-benzyl-4-piperidyl)-5-chloro-2-ethoxy-N-methyl-benzamide; fumaric acid CAS Name: 4-amino-5-chloro-2-ethoxy-N-methyl-N-[1-(phenylmethyl)-4-piperidinyl]benzamide; (E)-2-butenedioic acid IUPAC Name: 4-amino-N-(1-benzylpiperidin-4-yl)-5-chloro-2-ethoxy-N-methylbenzamide; (E)-but-2-enedioic acid Traditional Name: 4-amino-N-(1-benzyl-4-piperidyl)-5-chloro-2-ethoxy-N-methyl-benzamide; fumaric acid Formula: C48H60Cl2N6O8 MolecularWeight: 919.9314

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1C(=O)N(C)C2CCN(CC2)CC3=CC=CC=C3)Cl)N.CCOC1=CC(=C(C=C1C(=O)N(C)C2CCN(CC2)CC3=CC=CC=C3)Cl)N.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCOC1=CC(=C(C=C1C(=O)N(C)C2CCN(CC2)CC3=CC=CC=C3)Cl)N.CCOC1=CC(=C(C=C1C(=O)N(C)C2CCN(CC2)CC3=CC=CC=C3)Cl)N.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/2C22H28ClN3O2.C4H4O4/c2*1-3-28-21-14-20(24)19(23)13-18(21)22(27)25(2)17-9-11-26(12-10-17)15-16-7-5-4-6-8-16;5-3(6)1-2-4(7)8/h2*4-8,13-14,17H,3,9-12,15,24H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;;2-1+