4-azanyl-5-chloranyl-N-[1-[(1-cyclohex-3-en-1-ylcarbonylpiperidin-4-yl)methyl]piperidin-4-yl]-2-methoxy-benzamide; (E)-but-2-enedioic acid

Systemtic Name: 4-azanyl-5-chloranyl-N-[1-[(1-cyclohex-3-en-1-ylcarbonylpiperidin-4-yl)methyl]piperidin-4-yl]-2-methoxy-benzamide; (E)-but-2-enedioic acid Openeye Name: 4-amino-5-chloro-N-[1-[[1-(cyclohex-3-ene-1-carbonyl)-4-piperidyl]methyl]-4-piperidyl]-2-methoxy-benzamide; fumaric acid CAS Name: 4-amino-5-chloro-N-[1-[[1-[1-cyclohex-3-enyl(oxo)methyl]-4-piperidinyl]methyl]-4-piperidinyl]-2-methoxybenzamide; (E)-2-butenedioic acid IUPAC Name: 4-amino-5-chloro-N-[1-[[1-(cyclohex-3-ene-1-carbonyl)piperidin-4-yl]methyl]piperidin-4-yl]-2-methoxybenzamide; (E)-but-2-enedioic acid Traditional Name: 4-amino-5-chloro-N-[1-[[1-(cyclohex-3-ene-1-carbonyl)-4-piperidyl]methyl]-4-piperidyl]-2-methoxy-benzamide; fumaric acid Formula: C30H41ClN4O7 MolecularWeight: 605.12214

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)NC2CCN(CC2)CC3CCN(CC3)C(=O)C4CCC=CC4)Cl)N.C(=CC(=O)O)C(=O)O

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)NC2CCN(CC2)CC3CCN(CC3)C(=O)C4CCC=CC4)Cl)N.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C26H37ClN4O3.C4H4O4/c1-34-24-16-23(28)22(27)15-21(24)25(32)29-20-9-11-30(12-10-20)17-18-7-13-31(14-8-18)26(33)19-5-3-2-4-6-19;5-3(6)1-2-4(7)8/h2-3,15-16,18-20H,4-14,17,28H2,1H3,(H,29,32);1-2H,(H,5,6)(H,7,8)/b;2-1+