1-[(3,4-dimethoxyphenyl)-(1-ethylbenzimidazol-2-yl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(3,4-dimethoxyphenyl)-(1-ethylbenzimidazol-2-yl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(3,4-dimethoxyphenyl)-(1-ethylbenzimidazol-2-yl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(3,4-dimethoxyphenyl)-(1-ethyl-2-benzimidazolyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(3,4-dimethoxyphenyl)-(1-ethylbenzimidazol-2-yl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(3,4-dimethoxyphenyl)-(1-ethylbenzimidazol-2-yl)methyl]isonipecotic acid Formula: C24H29N3O4 MolecularWeight: 423.50476

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2N=C1C(C3=CC(=C(C=C3)OC)OC)N4CCC(CC4)C(=O)O

Isomeric SMILES

CCN1C2=CC=CC=C2N=C1C(C3=CC(=C(C=C3)OC)OC)N4CCC(CC4)C(=O)O

InChI

InChI=1S/C24H29N3O4/c1-4-27-19-8-6-5-7-18(19)25-23(27)22(26-13-11-16(12-14-26)24(28)29)17-9-10-20(30-2)21(15-17)31-3/h5-10,15-16,22H,4,11-14H2,1-3H3,(H,28,29)