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

Systemtic Name: methyl 4-[2-(benzotriazol-1-yl)ethanoyl-[1-oxidanylidene-1-(oxolan-2-ylmethylamino)pentan-2-yl]amino]benzoate Openeye Name: methyl 4-[[2-(benzotriazol-1-yl)acetyl]-[1-(tetrahydrofuran-2-ylmethylcarbamoyl)butyl]amino]benzoate CAS Name: 4-[[2-(1-benzotriazolyl)-1-oxoethyl]-[1-oxo-1-(2-oxolanylmethylamino)pentan-2-yl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(benzotriazol-1-yl)acetyl]-[1-oxo-1-(oxolan-2-ylmethylamino)pentan-2-yl]amino]benzoate Traditional Name: 4-[[2-(benzotriazol-1-yl)acetyl]-[1-(tetrahydrofurfurylcarbamoyl)butyl]amino]benzoic acid methyl ester Formula: C26H31N5O5 MolecularWeight: 493.55484

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)NCC1CCCO1)N(C2=CC=C(C=C2)C(=O)OC)C(=O)CN3C4=CC=CC=C4N=N3

Isomeric SMILES

CCCC(C(=O)NCC1CCCO1)N(C2=CC=C(C=C2)C(=O)OC)C(=O)CN3C4=CC=CC=C4N=N3

InChI

InChI=1S/C26H31N5O5/c1-3-7-23(25(33)27-16-20-8-6-15-36-20)31(19-13-11-18(12-14-19)26(34)35-2)24(32)17-30-22-10-5-4-9-21(22)28-29-30/h4-5,9-14,20,23H,3,6-8,15-17H2,1-2H3,(H,27,33)