hexadecyl 3-[[2-(benzotriazol-1-yl)-2-methoxy-ethanoyl]amino]-2-bromanyl-benzoate

Systemtic Name: hexadecyl 3-[[2-(benzotriazol-1-yl)-2-methoxy-ethanoyl]amino]-2-bromanyl-benzoate Openeye Name: hexadecyl 3-[[2-(benzotriazol-1-yl)-2-methoxy-acetyl]amino]-2-bromo-benzoate CAS Name: 3-[[2-(1-benzotriazolyl)-2-methoxy-1-oxoethyl]amino]-2-bromobenzoic acid hexadecyl ester IUPAC Name: hexadecyl 3-[[2-(benzotriazol-1-yl)-2-methoxyacetyl]amino]-2-bromobenzoate Traditional Name: 3-[[2-(benzotriazol-1-yl)-2-methoxy-acetyl]amino]-2-bromo-benzoic acid cetyl ester Formula: C32H45BrN4O4 MolecularWeight: 629.6281

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(=O)C1=C(C(=CC=C1)NC(=O)C(N2C3=CC=CC=C3N=N2)OC)Br

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(=O)C1=C(C(=CC=C1)NC(=O)C(N2C3=CC=CC=C3N=N2)OC)Br

InChI

InChI=1S/C32H45BrN4O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-24-41-32(39)25-20-19-22-27(29(25)33)34-30(38)31(40-2)37-28-23-17-16-21-26(28)35-36-37/h16-17,19-23,31H,3-15,18,24H2,1-2H3,(H,34,38)