[2-oxidanylidene-2-(pentan-3-ylamino)ethyl] 3-phenyl-2,1-benzoxazole-5-carboxylate

Systemtic Name: [2-oxidanylidene-2-(pentan-3-ylamino)ethyl] 3-phenyl-2,1-benzoxazole-5-carboxylate Openeye Name: [2-(1-ethylpropylamino)-2-oxo-ethyl] 3-phenyl-2,1-benzoxazole-5-carboxylate CAS Name: 3-phenyl-2,1-benzoxazole-5-carboxylic acid [2-oxo-2-(pentan-3-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentan-3-ylamino)ethyl] 3-phenyl-2,1-benzoxazole-5-carboxylate Traditional Name: 3-phenylanthranil-5-carboxylic acid [2-(1-ethylpropylamino)-2-keto-ethyl] ester Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC(=O)COC(=O)C1=CC2=C(ON=C2C=C1)C3=CC=CC=C3

Isomeric SMILES

CCC(CC)NC(=O)COC(=O)C1=CC2=C(ON=C2C=C1)C3=CC=CC=C3

InChI

InChI=1S/C21H22N2O4/c1-3-16(4-2)22-19(24)13-26-21(25)15-10-11-18-17(12-15)20(27-23-18)14-8-6-5-7-9-14/h5-12,16H,3-4,13H2,1-2H3,(H,22,24)