4-azanyl-5-chloranyl-N-(1-cyclohexylpyrrolidin-3-yl)-2-methoxy-benzamide; (E)-but-2-enedioic acid

Systemtic Name: 4-azanyl-5-chloranyl-N-(1-cyclohexylpyrrolidin-3-yl)-2-methoxy-benzamide; (E)-but-2-enedioic acid Openeye Name: 4-amino-5-chloro-N-(1-cyclohexylpyrrolidin-3-yl)-2-methoxy-benzamide; fumaric acid CAS Name: 4-amino-5-chloro-N-(1-cyclohexyl-3-pyrrolidinyl)-2-methoxybenzamide; (E)-2-butenedioic acid IUPAC Name: 4-amino-5-chloro-N-(1-cyclohexylpyrrolidin-3-yl)-2-methoxybenzamide; (E)-but-2-enedioic acid Traditional Name: 4-amino-5-chloro-N-(1-cyclohexylpyrrolidin-3-yl)-2-methoxy-benzamide; fumaric acid Formula: C22H30ClN3O6 MolecularWeight: 467.9431

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)NC2CCN(C2)C3CCCCC3)Cl)N.C(=CC(=O)O)C(=O)O

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)NC2CCN(C2)C3CCCCC3)Cl)N.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C18H26ClN3O2.C4H4O4/c1-24-17-10-16(20)15(19)9-14(17)18(23)21-12-7-8-22(11-12)13-5-3-2-4-6-13;5-3(6)1-2-4(7)8/h9-10,12-13H,2-8,11,20H2,1H3,(H,21,23);1-2H,(H,5,6)(H,7,8)/b;2-1+