2-[4-carbamimidoyl-2-[[1-(1-pyridin-4-ylpiperidin-4-yl)carbonylpyrrolidin-2-yl]methoxy]phenyl]propanoic acid

Systemtic Name: 2-[4-carbamimidoyl-2-[[1-(1-pyridin-4-ylpiperidin-4-yl)carbonylpyrrolidin-2-yl]methoxy]phenyl]propanoic acid Openeye Name: 2-[4-carbamimidoyl-2-[[1-[1-(4-pyridyl)piperidine-4-carbonyl]pyrrolidin-2-yl]methoxy]phenyl]propanoic acid CAS Name: 2-[4-carbamimidoyl-2-[[1-[oxo-(1-pyridin-4-yl-4-piperidinyl)methyl]-2-pyrrolidinyl]methoxy]phenyl]propanoic acid IUPAC Name: 2-[4-carbamimidoyl-2-[[1-(1-pyridin-4-ylpiperidine-4-carbonyl)pyrrolidin-2-yl]methoxy]phenyl]propanoic acid Traditional Name: 2-[4-amidino-2-[[1-[1-(4-pyridyl)isonipecotoyl]pyrrolidin-2-yl]methoxy]phenyl]propionic acid Formula: C26H33N5O4 MolecularWeight: 479.57132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(C=C(C=C1)C(=N)N)OCC2CCCN2C(=O)C3CCN(CC3)C4=CC=NC=C4)C(=O)O

Isomeric SMILES

CC(C1=C(C=C(C=C1)C(=N)N)OCC2CCCN2C(=O)C3CCN(CC3)C4=CC=NC=C4)C(=O)O

InChI

InChI=1S/C26H33N5O4/c1-17(26(33)34)22-5-4-19(24(27)28)15-23(22)35-16-21-3-2-12-31(21)25(32)18-8-13-30(14-9-18)20-6-10-29-11-7-20/h4-7,10-11,15,17-18,21H,2-3,8-9,12-14,16H2,1H3,(H3,27,28)(H,33,34)