tert-butyl 5-[[[5-methyl-2-(pentanoylamino)phenyl]amino]methyl]-2-phenyl-benzoate

Systemtic Name: tert-butyl 5-[[[5-methyl-2-(pentanoylamino)phenyl]amino]methyl]-2-phenyl-benzoate Openeye Name: tert-butyl 5-[[5-methyl-2-(pentanoylamino)anilino]methyl]-2-phenyl-benzoate CAS Name: 5-[[5-methyl-2-(1-oxopentylamino)anilino]methyl]-2-phenylbenzoic acid tert-butyl ester IUPAC Name: tert-butyl 5-[[5-methyl-2-(pentanoylamino)anilino]methyl]-2-phenylbenzoate Traditional Name: 5-[[5-methyl-2-(valerylamino)anilino]methyl]-2-phenyl-benzoic acid tert-butyl ester Formula: C30H36N2O3 MolecularWeight: 472.61844

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1=C(C=C(C=C1)C)NCC2=CC(=C(C=C2)C3=CC=CC=C3)C(=O)OC(C)(C)C

Isomeric SMILES

CCCCC(=O)NC1=C(C=C(C=C1)C)NCC2=CC(=C(C=C2)C3=CC=CC=C3)C(=O)OC(C)(C)C

InChI

InChI=1S/C30H36N2O3/c1-6-7-13-28(33)32-26-17-14-21(2)18-27(26)31-20-22-15-16-24(23-11-9-8-10-12-23)25(19-22)29(34)35-30(3,4)5/h8-12,14-19,31H,6-7,13,20H2,1-5H3,(H,32,33)