2-[[1-(3-phenylpropyl)piperidin-4-yl]methylamino]-3H-benzimidazole-5-carboxylic acid

Systemtic Name: 2-[[1-(3-phenylpropyl)piperidin-4-yl]methylamino]-3H-benzimidazole-5-carboxylic acid Openeye Name: 2-[[1-(3-phenylpropyl)-4-piperidyl]methylamino]-3H-benzimidazole-5-carboxylic acid CAS Name: 2-[[1-(3-phenylpropyl)-4-piperidinyl]methylamino]-3H-benzimidazole-5-carboxylic acid IUPAC Name: 2-[[1-(3-phenylpropyl)piperidin-4-yl]methylamino]-3H-benzimidazole-5-carboxylic acid Traditional Name: 2-[[1-(3-phenylpropyl)-4-piperidyl]methylamino]-3H-benzimidazole-5-carboxylic acid Formula: C23H28N4O2 MolecularWeight: 392.49402

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CNC2=NC3=C(N2)C=C(C=C3)C(=O)O)CCCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1CNC2=NC3=C(N2)C=C(C=C3)C(=O)O)CCCC4=CC=CC=C4

InChI

InChI=1S/C23H28N4O2/c28-22(29)19-8-9-20-21(15-19)26-23(25-20)24-16-18-10-13-27(14-11-18)12-4-7-17-5-2-1-3-6-17/h1-3,5-6,8-9,15,18H,4,7,10-14,16H2,(H,28,29)(H2,24,25,26)