lithium 4-(isoquinolin-5-ylcarbamoylamino)-3,4-dihydro-2H-chromene-2-carboxylate

Systemtic Name: lithium 4-(isoquinolin-5-ylcarbamoylamino)-3,4-dihydro-2H-chromene-2-carboxylate Openeye Name: lithium 4-(5-isoquinolylcarbamoylamino)chromane-2-carboxylate CAS Name: lithium 4-[[(5-isoquinolinylamino)-oxomethyl]amino]-3,4-dihydro-2H-1-benzopyran-2-carboxylate IUPAC Name: lithium 4-(isoquinolin-5-ylcarbamoylamino)-3,4-dihydro-2H-chromene-2-carboxylate Traditional Name: lithium 4-(5-isoquinolylcarbamoylamino)chroman-2-carboxylate Formula: C20H16LiN3O4 MolecularWeight: 369.29974

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Descriptors Computed from Structure

Canonical SMILES:

[Li+].C1C(C2=CC=CC=C2OC1C(=O)[O-])NC(=O)NC3=CC=CC4=C3C=CN=C4

Isomeric SMILES

[Li+].C1C(C2=CC=CC=C2OC1C(=O)[O-])NC(=O)NC3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C20H17N3O4.Li/c24-19(25)18-10-16(14-5-1-2-7-17(14)27-18)23-20(26)22-15-6-3-4-12-11-21-9-8-13(12)15;/h1-9,11,16,18H,10H2,(H,24,25)(H2,22,23,26);/q;+1/p-1