ethyl 3-(2,2-dimethylpropanoylamino)-4-[4-(phenylmethyl)piperazin-1-yl]benzoate

Systemtic Name: ethyl 3-(2,2-dimethylpropanoylamino)-4-[4-(phenylmethyl)piperazin-1-yl]benzoate Openeye Name: ethyl 4-(4-benzylpiperazin-1-yl)-3-(2,2-dimethylpropanoylamino)benzoate CAS Name: 3-[(2,2-dimethyl-1-oxopropyl)amino]-4-[4-(phenylmethyl)-1-piperazinyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-(4-benzylpiperazin-1-yl)-3-(2,2-dimethylpropanoylamino)benzoate Traditional Name: 4-(4-benzylpiperazino)-3-(pivaloylamino)benzoic acid ethyl ester Formula: C25H33N3O3 MolecularWeight: 423.54782

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)N2CCN(CC2)CC3=CC=CC=C3)NC(=O)C(C)(C)C

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)N2CCN(CC2)CC3=CC=CC=C3)NC(=O)C(C)(C)C

InChI

InChI=1S/C25H33N3O3/c1-5-31-23(29)20-11-12-22(21(17-20)26-24(30)25(2,3)4)28-15-13-27(14-16-28)18-19-9-7-6-8-10-19/h6-12,17H,5,13-16,18H2,1-4H3,(H,26,30)