methyl 4-[[4-[2-dimethylaminoethyl(propan-2-ylcarbamoyl)amino]piperidin-1-yl]methyl]benzoate

Systemtic Name: methyl 4-[[4-[2-dimethylaminoethyl(propan-2-ylcarbamoyl)amino]piperidin-1-yl]methyl]benzoate Openeye Name: methyl 4-[[4-[2-dimethylaminoethyl(isopropylcarbamoyl)amino]-1-piperidyl]methyl]benzoate CAS Name: 4-[[4-[2-dimethylaminoethyl-[oxo-(propan-2-ylamino)methyl]amino]-1-piperidinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-[2-dimethylaminoethyl(propan-2-ylcarbamoyl)amino]piperidin-1-yl]methyl]benzoate Traditional Name: 4-[[4-[2-dimethylaminoethyl(isopropylcarbamoyl)amino]piperidino]methyl]benzoic acid methyl ester Formula: C22H36N4O3 MolecularWeight: 404.54624

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)N(CCN(C)C)C1CCN(CC1)CC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CC(C)NC(=O)N(CCN(C)C)C1CCN(CC1)CC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C22H36N4O3/c1-17(2)23-22(28)26(15-14-24(3)4)20-10-12-25(13-11-20)16-18-6-8-19(9-7-18)21(27)29-5/h6-9,17,20H,10-16H2,1-5H3,(H,23,28)