5-[(1S)-1-[4-(phenylmethyl)piperazin-1-yl]ethyl]furan-2-carboxylic acid

Systemtic Name: 5-[(1S)-1-[4-(phenylmethyl)piperazin-1-yl]ethyl]furan-2-carboxylic acid Openeye Name: 5-[(1S)-1-(4-benzylpiperazin-1-yl)ethyl]furan-2-carboxylic acid CAS Name: 5-[(1S)-1-[4-(phenylmethyl)-1-piperazinyl]ethyl]-2-furancarboxylic acid IUPAC Name: 5-[(1S)-1-(4-benzylpiperazin-1-yl)ethyl]furan-2-carboxylic acid Traditional Name: 5-[(1S)-1-(4-benzylpiperazino)ethyl]-2-furoic acid Formula: C18H22N2O3 MolecularWeight: 314.37888

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(O1)C(=O)O)N2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

C[C@@H](C1=CC=C(O1)C(=O)O)N2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C18H22N2O3/c1-14(16-7-8-17(23-16)18(21)22)20-11-9-19(10-12-20)13-15-5-3-2-4-6-15/h2-8,14H,9-13H2,1H3,(H,21,22)/t14-/m0/s1