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

Systemtic Name: [1-[(4-ethoxycarbonylphenyl)amino]-1-oxidanylidene-butan-2-yl] 1,3-benzoxazole-4-carboxylate Openeye Name: 1-[(4-ethoxycarbonylphenyl)carbamoyl]propyl 1,3-benzoxazole-4-carboxylate CAS Name: 1,3-benzoxazole-4-carboxylic acid [1-(4-ethoxycarbonylanilino)-1-oxobutan-2-yl] ester IUPAC Name: [1-(4-ethoxycarbonylanilino)-1-oxobutan-2-yl] 1,3-benzoxazole-4-carboxylate Traditional Name: 1,3-benzoxazole-4-carboxylic acid 1-[(4-carbethoxyphenyl)carbamoyl]propyl ester Formula: C21H20N2O6 MolecularWeight: 396.3933

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)C(=O)OCC)OC(=O)C2=C3C(=CC=C2)OC=N3

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)C(=O)OCC)OC(=O)C2=C3C(=CC=C2)OC=N3

InChI

InChI=1S/C21H20N2O6/c1-3-16(29-21(26)15-6-5-7-17-18(15)22-12-28-17)19(24)23-14-10-8-13(9-11-14)20(25)27-4-2/h5-12,16H,3-4H2,1-2H3,(H,23,24)