methyl 2-[(1-cyclohexylpiperidin-3-yl)methyl-(pyridin-3-ylmethyl)carbamoyl]benzoate

Systemtic Name: methyl 2-[(1-cyclohexylpiperidin-3-yl)methyl-(pyridin-3-ylmethyl)carbamoyl]benzoate Openeye Name: methyl 2-[(1-cyclohexyl-3-piperidyl)methyl-(3-pyridylmethyl)carbamoyl]benzoate CAS Name: 2-[[(1-cyclohexyl-3-piperidinyl)methyl-(3-pyridinylmethyl)amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 2-[(1-cyclohexylpiperidin-3-yl)methyl-(pyridin-3-ylmethyl)carbamoyl]benzoate Traditional Name: 2-[(1-cyclohexyl-3-piperidyl)methyl-(3-pyridylmethyl)carbamoyl]benzoic acid methyl ester Formula: C27H35N3O3 MolecularWeight: 449.5851

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1C(=O)N(CC2CCCN(C2)C3CCCCC3)CC4=CN=CC=C4

Isomeric SMILES

COC(=O)C1=CC=CC=C1C(=O)N(CC2CCCN(C2)C3CCCCC3)CC4=CN=CC=C4

InChI

InChI=1S/C27H35N3O3/c1-33-27(32)25-14-6-5-13-24(25)26(31)30(18-21-9-7-15-28-17-21)20-22-10-8-16-29(19-22)23-11-3-2-4-12-23/h5-7,9,13-15,17,22-23H,2-4,8,10-12,16,18-20H2,1H3