ethyl 4-[[4-[2,6-dimethyl-5-(phenylmethyl)pyrimidin-4-yl]piperazin-1-yl]carbonylamino]benzoate

Systemtic Name: ethyl 4-[[4-[2,6-dimethyl-5-(phenylmethyl)pyrimidin-4-yl]piperazin-1-yl]carbonylamino]benzoate Openeye Name: ethyl 4-[[4-(5-benzyl-2,6-dimethyl-pyrimidin-4-yl)piperazine-1-carbonyl]amino]benzoate CAS Name: 4-[[[4-[2,6-dimethyl-5-(phenylmethyl)-4-pyrimidinyl]-1-piperazinyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[4-(5-benzyl-2,6-dimethylpyrimidin-4-yl)piperazine-1-carbonyl]amino]benzoate Traditional Name: 4-[[4-(5-benzyl-2,6-dimethyl-pyrimidin-4-yl)piperazine-1-carbonyl]amino]benzoic acid ethyl ester Formula: C27H31N5O3 MolecularWeight: 473.56674

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)N2CCN(CC2)C3=NC(=NC(=C3CC4=CC=CC=C4)C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)N2CCN(CC2)C3=NC(=NC(=C3CC4=CC=CC=C4)C)C

InChI

InChI=1S/C27H31N5O3/c1-4-35-26(33)22-10-12-23(13-11-22)30-27(34)32-16-14-31(15-17-32)25-24(19(2)28-20(3)29-25)18-21-8-6-5-7-9-21/h5-13H,4,14-18H2,1-3H3,(H,30,34)