2-[(2-ethyl-1-oxidanylidene-4-propoxy-isoquinolin-3-yl)carbonylamino]benzoic acid

Systemtic Name: 2-[(2-ethyl-1-oxidanylidene-4-propoxy-isoquinolin-3-yl)carbonylamino]benzoic acid Openeye Name: 2-[(2-ethyl-1-oxo-4-propoxy-isoquinoline-3-carbonyl)amino]benzoic acid CAS Name: 2-[[(2-ethyl-1-oxo-4-propoxy-3-isoquinolinyl)-oxomethyl]amino]benzoic acid IUPAC Name: 2-[(2-ethyl-1-oxo-4-propoxyisoquinoline-3-carbonyl)amino]benzoic acid Traditional Name: 2-[(2-ethyl-1-keto-4-propoxy-isoquinoline-3-carbonyl)amino]benzoic acid Formula: C22H22N2O5 MolecularWeight: 394.42048

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(N(C(=O)C2=CC=CC=C21)CC)C(=O)NC3=CC=CC=C3C(=O)O

Isomeric SMILES

CCCOC1=C(N(C(=O)C2=CC=CC=C21)CC)C(=O)NC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C22H22N2O5/c1-3-13-29-19-14-9-5-6-10-15(14)21(26)24(4-2)18(19)20(25)23-17-12-8-7-11-16(17)22(27)28/h5-12H,3-4,13H2,1-2H3,(H,23,25)(H,27,28)