(11-ethoxy-11-oxidanylidene-undecyl)-[3-[ethyl(phenyl)carbamoyl]benzotriazol-5-yl]carbamic acid

Systemtic Name: (11-ethoxy-11-oxidanylidene-undecyl)-[3-[ethyl(phenyl)carbamoyl]benzotriazol-5-yl]carbamic acid Openeye Name: (11-ethoxy-11-oxo-undecyl)-[3-[ethyl(phenyl)carbamoyl]benzotriazol-5-yl]carbamic acid CAS Name: (11-ethoxy-11-oxoundecyl)-[3-[(N-ethylanilino)-oxomethyl]-5-benzotriazolyl]carbamic acid IUPAC Name: (11-ethoxy-11-oxoundecyl)-[3-[ethyl(phenyl)carbamoyl]benzotriazol-5-yl]carbamic acid Traditional Name: (11-ethoxy-11-keto-undecyl)-[3-[ethyl(phenyl)carbamoyl]benzotriazol-5-yl]carbamic acid Formula: C29H39N5O5 MolecularWeight: 537.65046

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC=C1)C(=O)N2C3=C(C=CC(=C3)N(CCCCCCCCCCC(=O)OCC)C(=O)O)N=N2

Isomeric SMILES

CCN(C1=CC=CC=C1)C(=O)N2C3=C(C=CC(=C3)N(CCCCCCCCCCC(=O)OCC)C(=O)O)N=N2

InChI

InChI=1S/C29H39N5O5/c1-3-32(23-16-12-11-13-17-23)28(36)34-26-22-24(19-20-25(26)30-31-34)33(29(37)38)21-15-10-8-6-5-7-9-14-18-27(35)39-4-2/h11-13,16-17,19-20,22H,3-10,14-15,18,21H2,1-2H3,(H,37,38)