4-[[4-(3-oxidanylidene-1H-pyrazolo[4,3-c]quinolin-2-yl)phenyl]carbonylamino]-2-phenyl-butanoic acid

Systemtic Name: 4-[[4-(3-oxidanylidene-1H-pyrazolo[4,3-c]quinolin-2-yl)phenyl]carbonylamino]-2-phenyl-butanoic acid Openeye Name: 4-[[4-(3-oxo-1H-pyrazolo[4,3-c]quinolin-2-yl)benzoyl]amino]-2-phenyl-butanoic acid CAS Name: 4-[[oxo-[4-(3-oxo-1H-pyrazolo[4,3-c]quinolin-2-yl)phenyl]methyl]amino]-2-phenylbutanoic acid IUPAC Name: 4-[[4-(3-oxo-1H-pyrazolo[4,3-c]quinolin-2-yl)benzoyl]amino]-2-phenylbutanoic acid Traditional Name: 4-[[4-(3-keto-1H-pyrazolo[4,3-c]quinolin-2-yl)benzoyl]amino]-2-phenyl-butyric acid Formula: C27H22N4O4 MolecularWeight: 466.48798

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CCNC(=O)C2=CC=C(C=C2)N3C(=O)C4=C(N3)C5=CC=CC=C5N=C4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(CCNC(=O)C2=CC=C(C=C2)N3C(=O)C4=C(N3)C5=CC=CC=C5N=C4)C(=O)O

InChI

InChI=1S/C27H22N4O4/c32-25(28-15-14-20(27(34)35)17-6-2-1-3-7-17)18-10-12-19(13-11-18)31-26(33)22-16-29-23-9-5-4-8-21(23)24(22)30-31/h1-13,16,20,30H,14-15H2,(H,28,32)(H,34,35)