ethyl 4-[4-[4-(phenylmethyl)piperazin-1-yl]butanoylamino]benzoate dichloride

Systemtic Name: ethyl 4-[4-[4-(phenylmethyl)piperazin-1-yl]butanoylamino]benzoate dichloride Openeye Name: ethyl 4-[4-(4-benzylpiperazin-1-yl)butanoylamino]benzoate dichloride CAS Name: 4-[[1-oxo-4-[4-(phenylmethyl)-1-piperazinyl]butyl]amino]benzoic acid ethyl ester dichloride IUPAC Name: ethyl 4-[4-(4-benzylpiperazin-1-yl)butanoylamino]benzoate dichloride Traditional Name: 4-[4-(4-benzylpiperazino)butanoylamino]benzoic acid ethyl ester dichloride Formula: C24H31Cl2N3O3-2 MolecularWeight: 480.42724

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CCCN2CCN(CC2)CC3=CC=CC=C3.[Cl-].[Cl-]

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CCCN2CCN(CC2)CC3=CC=CC=C3.[Cl-].[Cl-]

InChI

InChI=1S/C24H31N3O3.2ClH/c1-2-30-24(29)21-10-12-22(13-11-21)25-23(28)9-6-14-26-15-17-27(18-16-26)19-20-7-4-3-5-8-20;;/h3-5,7-8,10-13H,2,6,9,14-19H2,1H3,(H,25,28);2*1H/p-2