methyl 2-[(1-ethylbenzotriazol-5-yl)carbonylamino]-5-morpholin-4-yl-benzoate

Systemtic Name: methyl 2-[(1-ethylbenzotriazol-5-yl)carbonylamino]-5-morpholin-4-yl-benzoate Openeye Name: methyl 2-[(1-ethylbenzotriazole-5-carbonyl)amino]-5-morpholino-benzoate CAS Name: 2-[[(1-ethyl-5-benzotriazolyl)-oxomethyl]amino]-5-(4-morpholinyl)benzoic acid methyl ester IUPAC Name: methyl 2-[(1-ethylbenzotriazole-5-carbonyl)amino]-5-morpholin-4-ylbenzoate Traditional Name: 2-[(1-ethylbenzotriazole-5-carbonyl)amino]-5-morpholino-benzoic acid methyl ester Formula: C21H23N5O4 MolecularWeight: 409.43842

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)NC3=C(C=C(C=C3)N4CCOCC4)C(=O)OC)N=N1

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)NC3=C(C=C(C=C3)N4CCOCC4)C(=O)OC)N=N1

InChI

InChI=1S/C21H23N5O4/c1-3-26-19-7-4-14(12-18(19)23-24-26)20(27)22-17-6-5-15(13-16(17)21(28)29-2)25-8-10-30-11-9-25/h4-7,12-13H,3,8-11H2,1-2H3,(H,22,27)