2-[7-[3-[bis(azanyl)methylideneamino]propoxy]-2-oxidanylidene-1-(phenylmethyl)quinolin-3-yl]ethanoic acid

Systemtic Name: 2-[7-[3-[bis(azanyl)methylideneamino]propoxy]-2-oxidanylidene-1-(phenylmethyl)quinolin-3-yl]ethanoic acid Openeye Name: 2-[1-benzyl-7-(3-guanidinopropoxy)-2-oxo-3-quinolyl]acetic acid CAS Name: 2-[7-[3-(diaminomethylideneamino)propoxy]-2-oxo-1-(phenylmethyl)-3-quinolinyl]acetic acid IUPAC Name: 2-[1-benzyl-7-[3-(diaminomethylideneamino)propoxy]-2-oxoquinolin-3-yl]acetic acid Traditional Name: 2-[1-benzyl-7-(3-guanidinopropoxy)-2-keto-3-quinolyl]acetic acid Formula: C22H24N4O4 MolecularWeight: 408.45036

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=C(C=CC(=C3)OCCCN=C(N)N)C=C(C2=O)CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=C(C=CC(=C3)OCCCN=C(N)N)C=C(C2=O)CC(=O)O

InChI

InChI=1S/C22H24N4O4/c23-22(24)25-9-4-10-30-18-8-7-16-11-17(12-20(27)28)21(29)26(19(16)13-18)14-15-5-2-1-3-6-15/h1-3,5-8,11,13H,4,9-10,12,14H2,(H,27,28)(H4,23,24,25)