[1-[(2-methylquinolin-4-yl)amino]-1-oxidanylidene-butan-2-yl] 1,3-benzoxazole-5-carboxylate

Systemtic Name: [1-[(2-methylquinolin-4-yl)amino]-1-oxidanylidene-butan-2-yl] 1,3-benzoxazole-5-carboxylate Openeye Name: 1-[(2-methyl-4-quinolyl)carbamoyl]propyl 1,3-benzoxazole-5-carboxylate CAS Name: 1,3-benzoxazole-5-carboxylic acid [1-[(2-methyl-4-quinolinyl)amino]-1-oxobutan-2-yl] ester IUPAC Name: [1-[(2-methylquinolin-4-yl)amino]-1-oxobutan-2-yl] 1,3-benzoxazole-5-carboxylate Traditional Name: 1,3-benzoxazole-5-carboxylic acid 1-[(2-methyl-4-quinolyl)carbamoyl]propyl ester Formula: C22H19N3O4 MolecularWeight: 389.40396

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC(=NC2=CC=CC=C21)C)OC(=O)C3=CC4=C(C=C3)OC=N4

Isomeric SMILES

CCC(C(=O)NC1=CC(=NC2=CC=CC=C21)C)OC(=O)C3=CC4=C(C=C3)OC=N4

InChI

InChI=1S/C22H19N3O4/c1-3-19(29-22(27)14-8-9-20-18(11-14)23-12-28-20)21(26)25-17-10-13(2)24-16-7-5-4-6-15(16)17/h4-12,19H,3H2,1-2H3,(H,24,25,26)