4-(1,3-benzodioxol-5-yl)-2-oxidanylidene-3-[5-(4-phenylpiperidin-1-yl)pentyl]-1H-imidazole-5-carboxylic acid

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-2-oxidanylidene-3-[5-(4-phenylpiperidin-1-yl)pentyl]-1H-imidazole-5-carboxylic acid Openeye Name: 4-(1,3-benzodioxol-5-yl)-2-oxo-3-[5-(4-phenyl-1-piperidyl)pentyl]-1H-imidazole-5-carboxylic acid CAS Name: 4-(1,3-benzodioxol-5-yl)-2-oxo-3-[5-(4-phenyl-1-piperidinyl)pentyl]-1H-imidazole-5-carboxylic acid IUPAC Name: 4-(1,3-benzodioxol-5-yl)-2-oxo-3-[5-(4-phenylpiperidin-1-yl)pentyl]-1H-imidazole-5-carboxylic acid Traditional Name: 5-(1,3-benzodioxol-5-yl)-2-keto-1-[5-(4-phenylpiperidino)pentyl]-4-imidazoline-4-carboxylic acid Formula: C27H31N3O5 MolecularWeight: 477.55214

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=CC=CC=C2)CCCCCN3C(=C(NC3=O)C(=O)O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CN(CCC1C2=CC=CC=C2)CCCCCN3C(=C(NC3=O)C(=O)O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C27H31N3O5/c31-26(32)24-25(21-9-10-22-23(17-21)35-18-34-22)30(27(33)28-24)14-6-2-5-13-29-15-11-20(12-16-29)19-7-3-1-4-8-19/h1,3-4,7-10,17,20H,2,5-6,11-16,18H2,(H,28,33)(H,31,32)