tert-butyl 3-azanyl-4-[[[(E)-4-methoxy-4-oxidanylidene-but-2-enyl]-phenethyl-amino]methyl]benzoate

Systemtic Name: tert-butyl 3-azanyl-4-[[[(E)-4-methoxy-4-oxidanylidene-but-2-enyl]-phenethyl-amino]methyl]benzoate Openeye Name: tert-butyl 3-amino-4-[[[(E)-4-methoxy-4-oxo-but-2-enyl]-phenethyl-amino]methyl]benzoate CAS Name: 3-amino-4-[[[(E)-4-methoxy-4-oxobut-2-enyl]-phenethylamino]methyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 3-amino-4-[[[(E)-4-methoxy-4-oxobut-2-enyl]-phenethylamino]methyl]benzoate Traditional Name: 3-amino-4-[[[(E)-4-keto-4-methoxy-but-2-enyl]-phenethyl-amino]methyl]benzoic acid tert-butyl ester Formula: C25H32N2O4 MolecularWeight: 424.53258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC(=C(C=C1)CN(CCC2=CC=CC=C2)CC=CC(=O)OC)N

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC(=C(C=C1)CN(CCC2=CC=CC=C2)C/C=C/C(=O)OC)N

InChI

InChI=1S/C25H32N2O4/c1-25(2,3)31-24(29)20-12-13-21(22(26)17-20)18-27(15-8-11-23(28)30-4)16-14-19-9-6-5-7-10-19/h5-13,17H,14-16,18,26H2,1-4H3/b11-8+