methyl N-[5-[[4-(5-ethylbenzotriazol-2-yl)-3-oxidanyl-phenyl]-methyl-amino]pentanoylamino]carbamate

Systemtic Name: methyl N-[5-[[4-(5-ethylbenzotriazol-2-yl)-3-oxidanyl-phenyl]-methyl-amino]pentanoylamino]carbamate Openeye Name: methyl N-[5-[4-(5-ethylbenzotriazol-2-yl)-3-hydroxy-N-methyl-anilino]pentanoylamino]carbamate CAS Name: N-[[5-[4-(5-ethyl-2-benzotriazolyl)-3-hydroxy-N-methylanilino]-1-oxopentyl]amino]carbamic acid methyl ester IUPAC Name: methyl N-[5-[4-(5-ethylbenzotriazol-2-yl)-3-hydroxy-N-methylanilino]pentanoylamino]carbamate Traditional Name: N-[5-[4-(5-ethylbenzotriazol-2-yl)-3-hydroxy-N-methyl-anilino]pentanoylamino]carbamic acid methyl ester Formula: C22H28N6O4 MolecularWeight: 440.49552

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=NN(N=C2C=C1)C3=C(C=C(C=C3)N(C)CCCCC(=O)NNC(=O)OC)O

Isomeric SMILES

CCC1=CC2=NN(N=C2C=C1)C3=C(C=C(C=C3)N(C)CCCCC(=O)NNC(=O)OC)O

InChI

InChI=1S/C22H28N6O4/c1-4-15-8-10-17-18(13-15)26-28(25-17)19-11-9-16(14-20(19)29)27(2)12-6-5-7-21(30)23-24-22(31)32-3/h8-11,13-14,29H,4-7,12H2,1-3H3,(H,23,30)(H,24,31)