2-[[4-oxidanyl-6-(phenylcarbamoylamino)isoquinolin-3-yl]carbonylamino]ethanoic acid

Systemtic Name: 2-[[4-oxidanyl-6-(phenylcarbamoylamino)isoquinolin-3-yl]carbonylamino]ethanoic acid Openeye Name: 2-[[4-hydroxy-6-(phenylcarbamoylamino)isoquinoline-3-carbonyl]amino]acetic acid CAS Name: 2-[[[6-[[anilino(oxo)methyl]amino]-4-hydroxy-3-isoquinolinyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[4-hydroxy-6-(phenylcarbamoylamino)isoquinoline-3-carbonyl]amino]acetic acid Traditional Name: 2-[[4-hydroxy-6-(phenylcarbamoylamino)isoquinoline-3-carbonyl]amino]acetic acid Formula: C19H16N4O5 MolecularWeight: 380.35414

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)NC2=CC3=C(C(=NC=C3C=C2)C(=O)NCC(=O)O)O

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)NC2=CC3=C(C(=NC=C3C=C2)C(=O)NCC(=O)O)O

InChI

InChI=1S/C19H16N4O5/c24-15(25)10-21-18(27)16-17(26)14-8-13(7-6-11(14)9-20-16)23-19(28)22-12-4-2-1-3-5-12/h1-9,26H,10H2,(H,21,27)(H,24,25)(H2,22,23,28)