quinolin-8-ylmethyl 4-(2-cyanoethanoylamino)benzoate

Systemtic Name: quinolin-8-ylmethyl 4-(2-cyanoethanoylamino)benzoate Openeye Name: 8-quinolylmethyl 4-[(2-cyanoacetyl)amino]benzoate CAS Name: 4-[(2-cyano-1-oxoethyl)amino]benzoic acid 8-quinolinylmethyl ester IUPAC Name: quinolin-8-ylmethyl 4-[(2-cyanoacetyl)amino]benzoate Traditional Name: 4-[(2-cyanoacetyl)amino]benzoic acid 8-quinolylmethyl ester Formula: C20H15N3O3 MolecularWeight: 345.3514

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)COC(=O)C3=CC=C(C=C3)NC(=O)CC#N)N=CC=C2

Isomeric SMILES

C1=CC2=C(C(=C1)COC(=O)C3=CC=C(C=C3)NC(=O)CC#N)N=CC=C2

InChI

InChI=1S/C20H15N3O3/c21-11-10-18(24)23-17-8-6-15(7-9-17)20(25)26-13-16-4-1-3-14-5-2-12-22-19(14)16/h1-9,12H,10,13H2,(H,23,24)