2-azanyl-1-(3-phenylpropyl)-4-(piperidin-4-ylmethyl)benzimidazole-5-carboxylic acid

Systemtic Name: 2-azanyl-1-(3-phenylpropyl)-4-(piperidin-4-ylmethyl)benzimidazole-5-carboxylic acid Openeye Name: 2-amino-1-(3-phenylpropyl)-4-(4-piperidylmethyl)benzimidazole-5-carboxylic acid CAS Name: 2-amino-1-(3-phenylpropyl)-4-(4-piperidinylmethyl)-5-benzimidazolecarboxylic acid IUPAC Name: 2-amino-1-(3-phenylpropyl)-4-(piperidin-4-ylmethyl)benzimidazole-5-carboxylic acid Traditional Name: 2-amino-1-(3-phenylpropyl)-4-(4-piperidylmethyl)benzimidazole-5-carboxylic acid Formula: C23H28N4O2 MolecularWeight: 392.49402

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1CC2=C(C=CC3=C2N=C(N3CCCC4=CC=CC=C4)N)C(=O)O

Isomeric SMILES

C1CNCCC1CC2=C(C=CC3=C2N=C(N3CCCC4=CC=CC=C4)N)C(=O)O

InChI

InChI=1S/C23H28N4O2/c24-23-26-21-19(15-17-10-12-25-13-11-17)18(22(28)29)8-9-20(21)27(23)14-4-7-16-5-2-1-3-6-16/h1-3,5-6,8-9,17,25H,4,7,10-15H2,(H2,24,26)(H,28,29)