ethyl 1-[(1-ethylcyclooctyl)methyl]-4-(2-oxidanylidene-3-prop-2-ynyl-benzimidazol-1-yl)piperidine-3-carboxylate

Systemtic Name: ethyl 1-[(1-ethylcyclooctyl)methyl]-4-(2-oxidanylidene-3-prop-2-ynyl-benzimidazol-1-yl)piperidine-3-carboxylate Openeye Name: ethyl 1-[(1-ethylcyclooctyl)methyl]-4-(2-oxo-3-prop-2-ynyl-benzimidazol-1-yl)piperidine-3-carboxylate CAS Name: 1-[(1-ethylcyclooctyl)methyl]-4-(2-oxo-3-prop-2-ynyl-1-benzimidazolyl)-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(1-ethylcyclooctyl)methyl]-4-(2-oxo-3-prop-2-ynylbenzimidazol-1-yl)piperidine-3-carboxylate Traditional Name: 1-[(1-ethylcyclooctyl)methyl]-4-(2-keto-3-propargyl-benzimidazol-1-yl)nipecotic acid ethyl ester Formula: C29H41N3O3 MolecularWeight: 479.65414

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CCCCCCC1)CN2CCC(C(C2)C(=O)OCC)N3C4=CC=CC=C4N(C3=O)CC#C

Isomeric SMILES

CCC1(CCCCCCC1)CN2CCC(C(C2)C(=O)OCC)N3C4=CC=CC=C4N(C3=O)CC#C

InChI

InChI=1S/C29H41N3O3/c1-4-19-31-25-14-10-11-15-26(25)32(28(31)34)24-16-20-30(21-23(24)27(33)35-6-3)22-29(5-2)17-12-8-7-9-13-18-29/h1,10-11,14-15,23-24H,5-9,12-13,16-22H2,2-3H3