ethyl 2-[[4-(2H-benzotriazol-5-ylcarbonylamino)piperidin-4-yl]carbonylamino]-3-phenyl-propanoate

Systemtic Name: ethyl 2-[[4-(2H-benzotriazol-5-ylcarbonylamino)piperidin-4-yl]carbonylamino]-3-phenyl-propanoate Openeye Name: ethyl 2-[[4-(2H-benzotriazole-5-carbonylamino)piperidine-4-carbonyl]amino]-3-phenyl-propanoate CAS Name: 2-[[[4-[[2H-benzotriazol-5-yl(oxo)methyl]amino]-4-piperidinyl]-oxomethyl]amino]-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl 2-[[4-(2H-benzotriazole-5-carbonylamino)piperidine-4-carbonyl]amino]-3-phenylpropanoate Traditional Name: 2-[[4-(2H-benzotriazole-5-carbonylamino)isonipecotoyl]amino]-3-phenyl-propionic acid ethyl ester Formula: C24H28N6O4 MolecularWeight: 464.51692

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=CC=C1)NC(=O)C2(CCNCC2)NC(=O)C3=CC4=NNN=C4C=C3

Isomeric SMILES

CCOC(=O)C(CC1=CC=CC=C1)NC(=O)C2(CCNCC2)NC(=O)C3=CC4=NNN=C4C=C3

InChI

InChI=1S/C24H28N6O4/c1-2-34-22(32)20(14-16-6-4-3-5-7-16)26-23(33)24(10-12-25-13-11-24)27-21(31)17-8-9-18-19(15-17)29-30-28-18/h3-9,15,20,25H,2,10-14H2,1H3,(H,26,33)(H,27,31)(H,28,29,30)