methyl 3-(phenylcarbamoylamino)-2-[[2-(phenylmethyl)piperidin-1-yl]methyl]benzoate

Systemtic Name: methyl 3-(phenylcarbamoylamino)-2-[[2-(phenylmethyl)piperidin-1-yl]methyl]benzoate Openeye Name: methyl 2-[(2-benzyl-1-piperidyl)methyl]-3-(phenylcarbamoylamino)benzoate CAS Name: 3-[[anilino(oxo)methyl]amino]-2-[[2-(phenylmethyl)-1-piperidinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 2-[(2-benzylpiperidin-1-yl)methyl]-3-(phenylcarbamoylamino)benzoate Traditional Name: 2-[(2-benzylpiperidino)methyl]-3-(phenylcarbamoylamino)benzoic acid methyl ester Formula: C28H31N3O3 MolecularWeight: 457.56404

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=CC=C1)NC(=O)NC2=CC=CC=C2)CN3CCCCC3CC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=C(C(=CC=C1)NC(=O)NC2=CC=CC=C2)CN3CCCCC3CC4=CC=CC=C4

InChI

InChI=1S/C28H31N3O3/c1-34-27(32)24-16-10-17-26(30-28(33)29-22-13-6-3-7-14-22)25(24)20-31-18-9-8-15-23(31)19-21-11-4-2-5-12-21/h2-7,10-14,16-17,23H,8-9,15,18-20H2,1H3,(H2,29,30,33)