1-[1-[(4-methoxy-3-propoxy-phenyl)methyl]piperidin-4-yl]-2-oxidanylidene-3H-benzimidazole-5-carboxylic acid

Systemtic Name: 1-[1-[(4-methoxy-3-propoxy-phenyl)methyl]piperidin-4-yl]-2-oxidanylidene-3H-benzimidazole-5-carboxylic acid Openeye Name: 1-[1-[(4-methoxy-3-propoxy-phenyl)methyl]-4-piperidyl]-2-oxo-3H-benzimidazole-5-carboxylic acid CAS Name: 1-[1-[(4-methoxy-3-propoxyphenyl)methyl]-4-piperidinyl]-2-oxo-3H-benzimidazole-5-carboxylic acid IUPAC Name: 1-[1-[(4-methoxy-3-propoxyphenyl)methyl]piperidin-4-yl]-2-oxo-3H-benzimidazole-5-carboxylic acid Traditional Name: 2-keto-1-[1-(4-methoxy-3-propoxy-benzyl)-4-piperidyl]-3H-benzimidazole-5-carboxylic acid Formula: C24H29N3O5 MolecularWeight: 439.50416

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=CC(=C1)CN2CCC(CC2)N3C4=C(C=C(C=C4)C(=O)O)NC3=O)OC

Isomeric SMILES

CCCOC1=C(C=CC(=C1)CN2CCC(CC2)N3C4=C(C=C(C=C4)C(=O)O)NC3=O)OC

InChI

InChI=1S/C24H29N3O5/c1-3-12-32-22-13-16(4-7-21(22)31-2)15-26-10-8-18(9-11-26)27-20-6-5-17(23(28)29)14-19(20)25-24(27)30/h4-7,13-14,18H,3,8-12,15H2,1-2H3,(H,25,30)(H,28,29)