dodecyl 4-chloranyl-3-[[(1,3-dimethylbenzimidazol-2-ylidene)amino]carbamoylamino]benzoate

Systemtic Name: dodecyl 4-chloranyl-3-[[(1,3-dimethylbenzimidazol-2-ylidene)amino]carbamoylamino]benzoate Openeye Name: dodecyl 4-chloro-3-[[(1,3-dimethylbenzimidazol-2-ylidene)amino]carbamoylamino]benzoate CAS Name: 4-chloro-3-[[[2-(1,3-dimethyl-2-benzimidazolylidene)hydrazinyl]-oxomethyl]amino]benzoic acid dodecyl ester IUPAC Name: dodecyl 4-chloro-3-[[(1,3-dimethylbenzimidazol-2-ylidene)amino]carbamoylamino]benzoate Traditional Name: 4-chloro-3-[[(1,3-dimethylbenzimidazol-2-ylidene)amino]carbamoylamino]benzoic acid lauryl ester Formula: C29H40ClN5O3 MolecularWeight: 542.1126

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC(=O)C1=CC(=C(C=C1)Cl)NC(=O)NN=C2N(C3=CC=CC=C3N2C)C

Isomeric SMILES

CCCCCCCCCCCCOC(=O)C1=CC(=C(C=C1)Cl)NC(=O)NN=C2N(C3=CC=CC=C3N2C)C

InChI

InChI=1S/C29H40ClN5O3/c1-4-5-6-7-8-9-10-11-12-15-20-38-27(36)22-18-19-23(30)24(21-22)31-28(37)32-33-29-34(2)25-16-13-14-17-26(25)35(29)3/h13-14,16-19,21H,4-12,15,20H2,1-3H3,(H2,31,32,37)