N-[4-[[3-azanylpropyl(cyclohexylcarbonyl)amino]methyl]phenyl]-3,4-dimethoxy-benzamide

Systemtic Name: N-[4-[[3-azanylpropyl(cyclohexylcarbonyl)amino]methyl]phenyl]-3,4-dimethoxy-benzamide Openeye Name: N-[4-[[3-aminopropyl(cyclohexanecarbonyl)amino]methyl]phenyl]-3,4-dimethoxy-benzamide CAS Name: N-[4-[[3-aminopropyl-[cyclohexyl(oxo)methyl]amino]methyl]phenyl]-3,4-dimethoxybenzamide IUPAC Name: N-[4-[[3-aminopropyl(cyclohexanecarbonyl)amino]methyl]phenyl]-3,4-dimethoxybenzamide Traditional Name: N-[4-[[3-aminopropyl(cyclohexanecarbonyl)amino]methyl]phenyl]-3,4-dimethoxy-benzamide Formula: C26H35N3O4 MolecularWeight: 453.5738

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)CN(CCCN)C(=O)C3CCCCC3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)CN(CCCN)C(=O)C3CCCCC3)OC

InChI

InChI=1S/C26H35N3O4/c1-32-23-14-11-21(17-24(23)33-2)25(30)28-22-12-9-19(10-13-22)18-29(16-6-15-27)26(31)20-7-4-3-5-8-20/h9-14,17,20H,3-8,15-16,18,27H2,1-2H3,(H,28,30)