methyl 3-azanyl-4-[[[1-(phenylmethyl)piperidin-4-yl]amino]methyl]benzoate

Systemtic Name: methyl 3-azanyl-4-[[[1-(phenylmethyl)piperidin-4-yl]amino]methyl]benzoate Openeye Name: methyl 3-amino-4-[[(1-benzyl-4-piperidyl)amino]methyl]benzoate CAS Name: 3-amino-4-[[[1-(phenylmethyl)-4-piperidinyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-amino-4-[[(1-benzylpiperidin-4-yl)amino]methyl]benzoate Traditional Name: 3-amino-4-[[(1-benzyl-4-piperidyl)amino]methyl]benzoic acid methyl ester Formula: C21H27N3O2 MolecularWeight: 353.45798

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)CNC2CCN(CC2)CC3=CC=CC=C3)N

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)CNC2CCN(CC2)CC3=CC=CC=C3)N

InChI

InChI=1S/C21H27N3O2/c1-26-21(25)17-7-8-18(20(22)13-17)14-23-19-9-11-24(12-10-19)15-16-5-3-2-4-6-16/h2-8,13,19,23H,9-12,14-15,22H2,1H3