2-[4-[6-(4-carbamimidoylphenyl)pyridazin-3-yl]-3-methanoyl-2-oxidanylidene-1-(phenylmethyl)pyrrolidin-3-yl]ethanoic acid

Systemtic Name: 2-[4-[6-(4-carbamimidoylphenyl)pyridazin-3-yl]-3-methanoyl-2-oxidanylidene-1-(phenylmethyl)pyrrolidin-3-yl]ethanoic acid Openeye Name: 2-[1-benzyl-4-[6-(4-carbamimidoylphenyl)pyridazin-3-yl]-3-formyl-2-oxo-pyrrolidin-3-yl]acetic acid CAS Name: 2-[4-[6-(4-carbamimidoylphenyl)-3-pyridazinyl]-3-formyl-2-oxo-1-(phenylmethyl)-3-pyrrolidinyl]acetic acid IUPAC Name: 2-[1-benzyl-4-[6-(4-carbamimidoylphenyl)pyridazin-3-yl]-3-formyl-2-oxopyrrolidin-3-yl]acetic acid Traditional Name: 2-[4-[6-(4-amidinophenyl)pyridazin-3-yl]-1-benzyl-3-formyl-2-keto-pyrrolidin-3-yl]acetic acid Formula: C25H23N5O4 MolecularWeight: 457.48122

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(=O)N1CC2=CC=CC=C2)(CC(=O)O)C=O)C3=NN=C(C=C3)C4=CC=C(C=C4)C(=N)N

Isomeric SMILES

C1C(C(C(=O)N1CC2=CC=CC=C2)(CC(=O)O)C=O)C3=NN=C(C=C3)C4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C25H23N5O4/c26-23(27)18-8-6-17(7-9-18)20-10-11-21(29-28-20)19-14-30(13-16-4-2-1-3-5-16)24(34)25(19,15-31)12-22(32)33/h1-11,15,19H,12-14H2,(H3,26,27)(H,32,33)