tert-butyl 4-[5-[(2-propylpentanoylamino)methyl]indazol-1-yl]benzoate

Systemtic Name: tert-butyl 4-[5-[(2-propylpentanoylamino)methyl]indazol-1-yl]benzoate Openeye Name: tert-butyl 4-[5-[(2-propylpentanoylamino)methyl]indazol-1-yl]benzoate CAS Name: 4-[5-[[(1-oxo-2-propylpentyl)amino]methyl]-1-indazolyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[5-[(2-propylpentanoylamino)methyl]indazol-1-yl]benzoate Traditional Name: 4-[5-[(2-propylpentanoylamino)methyl]indazol-1-yl]benzoic acid tert-butyl ester Formula: C27H35N3O3 MolecularWeight: 449.5851

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)C(=O)NCC1=CC2=C(C=C1)N(N=C2)C3=CC=C(C=C3)C(=O)OC(C)(C)C

Isomeric SMILES

CCCC(CCC)C(=O)NCC1=CC2=C(C=C1)N(N=C2)C3=CC=C(C=C3)C(=O)OC(C)(C)C

InChI

InChI=1S/C27H35N3O3/c1-6-8-20(9-7-2)25(31)28-17-19-10-15-24-22(16-19)18-29-30(24)23-13-11-21(12-14-23)26(32)33-27(3,4)5/h10-16,18,20H,6-9,17H2,1-5H3,(H,28,31)