2-(1-benzothiophen-3-ylmethyl)-4-(phenylmethyl)piperazine-1-carboxylic acid

Systemtic Name: 2-(1-benzothiophen-3-ylmethyl)-4-(phenylmethyl)piperazine-1-carboxylic acid Openeye Name: 2-(benzothiophen-3-ylmethyl)-4-benzyl-piperazine-1-carboxylic acid CAS Name: 2-(1-benzothiophen-3-ylmethyl)-4-(phenylmethyl)-1-piperazinecarboxylic acid IUPAC Name: 2-(1-benzothiophen-3-ylmethyl)-4-benzylpiperazine-1-carboxylic acid Traditional Name: 2-(benzothiophen-3-ylmethyl)-4-benzyl-piperazine-1-carboxylic acid Formula: C21H22N2O2S MolecularWeight: 366.47658

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1CC2=CC=CC=C2)CC3=CSC4=CC=CC=C43)C(=O)O

Isomeric SMILES

C1CN(C(CN1CC2=CC=CC=C2)CC3=CSC4=CC=CC=C43)C(=O)O

InChI

InChI=1S/C21H22N2O2S/c24-21(25)23-11-10-22(13-16-6-2-1-3-7-16)14-18(23)12-17-15-26-20-9-5-4-8-19(17)20/h1-9,15,18H,10-14H2,(H,24,25)