7-methoxy-2-[[3-(phenylcarbamoylamino)phenyl]methylamino]quinoline-3-carboxylic acid

Systemtic Name: 7-methoxy-2-[[3-(phenylcarbamoylamino)phenyl]methylamino]quinoline-3-carboxylic acid Openeye Name: 7-methoxy-2-[[3-(phenylcarbamoylamino)phenyl]methylamino]quinoline-3-carboxylic acid CAS Name: 2-[[3-[[anilino(oxo)methyl]amino]phenyl]methylamino]-7-methoxy-3-quinolinecarboxylic acid IUPAC Name: 7-methoxy-2-[[3-(phenylcarbamoylamino)phenyl]methylamino]quinoline-3-carboxylic acid Traditional Name: 7-methoxy-2-[[3-(phenylcarbamoylamino)benzyl]amino]quinoline-3-carboxylic acid Formula: C25H22N4O4 MolecularWeight: 442.46658

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=NC(=C(C=C2C=C1)C(=O)O)NCC3=CC(=CC=C3)NC(=O)NC4=CC=CC=C4

Isomeric SMILES

COC1=CC2=NC(=C(C=C2C=C1)C(=O)O)NCC3=CC(=CC=C3)NC(=O)NC4=CC=CC=C4

InChI

InChI=1S/C25H22N4O4/c1-33-20-11-10-17-13-21(24(30)31)23(29-22(17)14-20)26-15-16-6-5-9-19(12-16)28-25(32)27-18-7-3-2-4-8-18/h2-14H,15H2,1H3,(H,26,29)(H,30,31)(H2,27,28,32)