3-[4-carbamimidoyl-2-[[1-(1-pyridin-4-ylpiperidin-4-yl)carbonylpyrrolidin-2-yl]methoxy]phenyl]propanoic acid

Systemtic Name: 3-[4-carbamimidoyl-2-[[1-(1-pyridin-4-ylpiperidin-4-yl)carbonylpyrrolidin-2-yl]methoxy]phenyl]propanoic acid Openeye Name: 3-[4-carbamimidoyl-2-[[1-[1-(4-pyridyl)piperidine-4-carbonyl]pyrrolidin-2-yl]methoxy]phenyl]propanoic acid CAS Name: 3-[4-carbamimidoyl-2-[[1-[oxo-(1-pyridin-4-yl-4-piperidinyl)methyl]-2-pyrrolidinyl]methoxy]phenyl]propanoic acid IUPAC Name: 3-[4-carbamimidoyl-2-[[1-(1-pyridin-4-ylpiperidine-4-carbonyl)pyrrolidin-2-yl]methoxy]phenyl]propanoic acid Traditional Name: 3-[4-amidino-2-[[1-[1-(4-pyridyl)isonipecotoyl]pyrrolidin-2-yl]methoxy]phenyl]propionic acid Formula: C26H33N5O4 MolecularWeight: 479.57132

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2CCN(CC2)C3=CC=NC=C3)COC4=C(C=CC(=C4)C(=N)N)CCC(=O)O

Isomeric SMILES

C1CC(N(C1)C(=O)C2CCN(CC2)C3=CC=NC=C3)COC4=C(C=CC(=C4)C(=N)N)CCC(=O)O

InChI

InChI=1S/C26H33N5O4/c27-25(28)20-4-3-18(5-6-24(32)33)23(16-20)35-17-22-2-1-13-31(22)26(34)19-9-14-30(15-10-19)21-7-11-29-12-8-21/h3-4,7-8,11-12,16,19,22H,1-2,5-6,9-10,13-15,17H2,(H3,27,28)(H,32,33)