(1-dodecoxy-1-oxidanylidene-propan-2-yl) 3-(benzotriazol-1-ylmethylcarbamoyl)-4-chloranyl-benzoate

Systemtic Name: (1-dodecoxy-1-oxidanylidene-propan-2-yl) 3-(benzotriazol-1-ylmethylcarbamoyl)-4-chloranyl-benzoate Openeye Name: (2-dodecoxy-1-methyl-2-oxo-ethyl) 3-(benzotriazol-1-ylmethylcarbamoyl)-4-chloro-benzoate CAS Name: 3-[(1-benzotriazolylmethylamino)-oxomethyl]-4-chlorobenzoic acid (1-dodecoxy-1-oxopropan-2-yl) ester IUPAC Name: (1-dodecoxy-1-oxopropan-2-yl) 3-(benzotriazol-1-ylmethylcarbamoyl)-4-chlorobenzoate Traditional Name: 3-(benzotriazol-1-ylmethylcarbamoyl)-4-chloro-benzoic acid (2-keto-2-lauryloxy-1-methyl-ethyl) ester Formula: C30H39ClN4O5 MolecularWeight: 571.10746

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC(=O)C(C)OC(=O)C1=CC(=C(C=C1)Cl)C(=O)NCN2C3=CC=CC=C3N=N2

Isomeric SMILES

CCCCCCCCCCCCOC(=O)C(C)OC(=O)C1=CC(=C(C=C1)Cl)C(=O)NCN2C3=CC=CC=C3N=N2

InChI

InChI=1S/C30H39ClN4O5/c1-3-4-5-6-7-8-9-10-11-14-19-39-29(37)22(2)40-30(38)23-17-18-25(31)24(20-23)28(36)32-21-35-27-16-13-12-15-26(27)33-34-35/h12-13,15-18,20,22H,3-11,14,19,21H2,1-2H3,(H,32,36)