methyl 4-[[4-[(3-cyanophenyl)carbonyl-(2-dimethylaminoethyl)amino]piperidin-1-yl]methyl]benzoate

Systemtic Name: methyl 4-[[4-[(3-cyanophenyl)carbonyl-(2-dimethylaminoethyl)amino]piperidin-1-yl]methyl]benzoate Openeye Name: methyl 4-[[4-[(3-cyanobenzoyl)-(2-dimethylaminoethyl)amino]-1-piperidyl]methyl]benzoate CAS Name: 4-[[4-[[(3-cyanophenyl)-oxomethyl]-(2-dimethylaminoethyl)amino]-1-piperidinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-[(3-cyanobenzoyl)-(2-dimethylaminoethyl)amino]piperidin-1-yl]methyl]benzoate Traditional Name: 4-[[4-[(3-cyanobenzoyl)-(2-dimethylaminoethyl)amino]piperidino]methyl]benzoic acid methyl ester Formula: C26H32N4O3 MolecularWeight: 448.55728

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN(C1CCN(CC1)CC2=CC=C(C=C2)C(=O)OC)C(=O)C3=CC=CC(=C3)C#N

Isomeric SMILES

CN(C)CCN(C1CCN(CC1)CC2=CC=C(C=C2)C(=O)OC)C(=O)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C26H32N4O3/c1-28(2)15-16-30(25(31)23-6-4-5-21(17-23)18-27)24-11-13-29(14-12-24)19-20-7-9-22(10-8-20)26(32)33-3/h4-10,17,24H,11-16,19H2,1-3H3