[1-[(2-ethyl-6-methyl-phenyl)amino]-1-oxidanylidene-butan-2-yl] 1,3-benzoxazole-4-carboxylate

Systemtic Name: [1-[(2-ethyl-6-methyl-phenyl)amino]-1-oxidanylidene-butan-2-yl] 1,3-benzoxazole-4-carboxylate Openeye Name: 1-[(2-ethyl-6-methyl-phenyl)carbamoyl]propyl 1,3-benzoxazole-4-carboxylate CAS Name: 1,3-benzoxazole-4-carboxylic acid [1-(2-ethyl-6-methylanilino)-1-oxobutan-2-yl] ester IUPAC Name: [1-(2-ethyl-6-methylanilino)-1-oxobutan-2-yl] 1,3-benzoxazole-4-carboxylate Traditional Name: 1,3-benzoxazole-4-carboxylic acid 1-[(2-ethyl-6-methyl-phenyl)carbamoyl]propyl ester Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)C(CC)OC(=O)C2=C3C(=CC=C2)OC=N3)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)C(CC)OC(=O)C2=C3C(=CC=C2)OC=N3)C

InChI

InChI=1S/C21H22N2O4/c1-4-14-9-6-8-13(3)18(14)23-20(24)16(5-2)27-21(25)15-10-7-11-17-19(15)22-12-26-17/h6-12,16H,4-5H2,1-3H3,(H,23,24)