tert-butyl 2-[4-[[[2-azanyl-5-(pentylamino)phenyl]-pentanoyl-amino]methyl]phenyl]benzoate

Systemtic Name: tert-butyl 2-[4-[[[2-azanyl-5-(pentylamino)phenyl]-pentanoyl-amino]methyl]phenyl]benzoate Openeye Name: tert-butyl 2-[4-[[2-amino-N-pentanoyl-5-(pentylamino)anilino]methyl]phenyl]benzoate CAS Name: 2-[4-[[2-amino-N-(1-oxopentyl)-5-(pentylamino)anilino]methyl]phenyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-[[2-amino-N-pentanoyl-5-(pentylamino)anilino]methyl]phenyl]benzoate Traditional Name: 2-[4-[[2-amino-5-(amylamino)-N-valeryl-anilino]methyl]phenyl]benzoic acid tert-butyl ester Formula: C34H45N3O3 MolecularWeight: 543.7394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC1=CC(=C(C=C1)N)N(CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)OC(C)(C)C)C(=O)CCCC

Isomeric SMILES

CCCCCNC1=CC(=C(C=C1)N)N(CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)OC(C)(C)C)C(=O)CCCC

InChI

InChI=1S/C34H45N3O3/c1-6-8-12-22-36-27-20-21-30(35)31(23-27)37(32(38)15-9-7-2)24-25-16-18-26(19-17-25)28-13-10-11-14-29(28)33(39)40-34(3,4)5/h10-11,13-14,16-21,23,36H,6-9,12,15,22,24,35H2,1-5H3