methyl 4-[1-[2-(benzotriazol-1-yl)ethanoyl-phenethyl-amino]-2-oxidanylidene-2-(oxolan-2-ylmethylamino)ethyl]benzoate

Systemtic Name: methyl 4-[1-[2-(benzotriazol-1-yl)ethanoyl-phenethyl-amino]-2-oxidanylidene-2-(oxolan-2-ylmethylamino)ethyl]benzoate Openeye Name: methyl 4-[1-[[2-(benzotriazol-1-yl)acetyl]-phenethyl-amino]-2-oxo-2-(tetrahydrofuran-2-ylmethylamino)ethyl]benzoate CAS Name: 4-[1-[[2-(1-benzotriazolyl)-1-oxoethyl]-phenethylamino]-2-oxo-2-(2-oxolanylmethylamino)ethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[1-[[2-(benzotriazol-1-yl)acetyl]-phenethylamino]-2-oxo-2-(oxolan-2-ylmethylamino)ethyl]benzoate Traditional Name: 4-[1-[[2-(benzotriazol-1-yl)acetyl]-phenethyl-amino]-2-keto-2-(tetrahydrofurfurylamino)ethyl]benzoic acid methyl ester Formula: C31H33N5O5 MolecularWeight: 555.62422

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(C(=O)NCC2CCCO2)N(CCC3=CC=CC=C3)C(=O)CN4C5=CC=CC=C5N=N4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(C(=O)NCC2CCCO2)N(CCC3=CC=CC=C3)C(=O)CN4C5=CC=CC=C5N=N4

InChI

InChI=1S/C31H33N5O5/c1-40-31(39)24-15-13-23(14-16-24)29(30(38)32-20-25-10-7-19-41-25)35(18-17-22-8-3-2-4-9-22)28(37)21-36-27-12-6-5-11-26(27)33-34-36/h2-6,8-9,11-16,25,29H,7,10,17-21H2,1H3,(H,32,38)