1-(4-phenylbutyl)-4-(3-phosphonopropyl)piperazine-2-carboxylic acid

Systemtic Name: 1-(4-phenylbutyl)-4-(3-phosphonopropyl)piperazine-2-carboxylic acid Openeye Name: 1-(4-phenylbutyl)-4-(3-phosphonopropyl)piperazine-2-carboxylic acid CAS Name: 1-(4-phenylbutyl)-4-(3-phosphonopropyl)-2-piperazinecarboxylic acid IUPAC Name: 1-(4-phenylbutyl)-4-(3-phosphonopropyl)piperazine-2-carboxylic acid Traditional Name: 1-(4-phenylbutyl)-4-(3-phosphonopropyl)piperazine-2-carboxylic acid Formula: C18H29N2O5P MolecularWeight: 384.407021

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1CCCP(=O)(O)O)C(=O)O)CCCCC2=CC=CC=C2

Isomeric SMILES

C1CN(C(CN1CCCP(=O)(O)O)C(=O)O)CCCCC2=CC=CC=C2

InChI

InChI=1S/C18H29N2O5P/c21-18(22)17-15-19(10-6-14-26(23,24)25)12-13-20(17)11-5-4-9-16-7-2-1-3-8-16/h1-3,7-8,17H,4-6,9-15H2,(H,21,22)(H2,23,24,25)