methyl 4-[[4-[propan-2-ylcarbamoyl(pyridin-3-ylmethyl)amino]piperidin-1-yl]methyl]benzoate

Systemtic Name: methyl 4-[[4-[propan-2-ylcarbamoyl(pyridin-3-ylmethyl)amino]piperidin-1-yl]methyl]benzoate Openeye Name: methyl 4-[[4-[isopropylcarbamoyl(3-pyridylmethyl)amino]-1-piperidyl]methyl]benzoate CAS Name: 4-[[4-[[oxo-(propan-2-ylamino)methyl]-(3-pyridinylmethyl)amino]-1-piperidinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-[propan-2-ylcarbamoyl(pyridin-3-ylmethyl)amino]piperidin-1-yl]methyl]benzoate Traditional Name: 4-[[4-[isopropylcarbamoyl(3-pyridylmethyl)amino]piperidino]methyl]benzoic acid methyl ester Formula: C24H32N4O3 MolecularWeight: 424.53588

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)N(CC1=CN=CC=C1)C2CCN(CC2)CC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC(C)NC(=O)N(CC1=CN=CC=C1)C2CCN(CC2)CC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C24H32N4O3/c1-18(2)26-24(30)28(17-20-5-4-12-25-15-20)22-10-13-27(14-11-22)16-19-6-8-21(9-7-19)23(29)31-3/h4-9,12,15,18,22H,10-11,13-14,16-17H2,1-3H3,(H,26,30)