methyl 3-[[3-(methylcarbamoyl)-1-phenethyl-4,5,6,7-tetrahydroindazol-5-yl]amino]propanoate

Systemtic Name: methyl 3-[[3-(methylcarbamoyl)-1-phenethyl-4,5,6,7-tetrahydroindazol-5-yl]amino]propanoate Openeye Name: methyl 3-[[3-(methylcarbamoyl)-1-phenethyl-4,5,6,7-tetrahydroindazol-5-yl]amino]propanoate CAS Name: 3-[[3-(methylcarbamoyl)-1-phenethyl-4,5,6,7-tetrahydroindazol-5-yl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[[3-(methylcarbamoyl)-1-phenethyl-4,5,6,7-tetrahydroindazol-5-yl]amino]propanoate Traditional Name: 3-[[3-(methylcarbamoyl)-1-phenethyl-4,5,6,7-tetrahydroindazol-5-yl]amino]propionic acid methyl ester Formula: C21H28N4O3 MolecularWeight: 384.47202

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=NN(C2=C1CC(CC2)NCCC(=O)OC)CCC3=CC=CC=C3

Isomeric SMILES

CNC(=O)C1=NN(C2=C1CC(CC2)NCCC(=O)OC)CCC3=CC=CC=C3

InChI

InChI=1S/C21H28N4O3/c1-22-21(27)20-17-14-16(23-12-10-19(26)28-2)8-9-18(17)25(24-20)13-11-15-6-4-3-5-7-15/h3-7,16,23H,8-14H2,1-2H3,(H,22,27)