tert-butyl 4-[[butoxycarbonyl(phenethyl)amino]methyl]-3-(1-methoxy-1-oxidanylidene-propan-2-yl)benzoate

Systemtic Name: tert-butyl 4-[[butoxycarbonyl(phenethyl)amino]methyl]-3-(1-methoxy-1-oxidanylidene-propan-2-yl)benzoate Openeye Name: tert-butyl 4-[[butoxycarbonyl(phenethyl)amino]methyl]-3-(2-methoxy-1-methyl-2-oxo-ethyl)benzoate CAS Name: 4-[[[butoxy(oxo)methyl]-phenethylamino]methyl]-3-(1-methoxy-1-oxopropan-2-yl)benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[butoxycarbonyl(phenethyl)amino]methyl]-3-(1-methoxy-1-oxopropan-2-yl)benzoate Traditional Name: 4-[[butoxycarbonyl(phenethyl)amino]methyl]-3-(2-keto-2-methoxy-1-methyl-ethyl)benzoic acid tert-butyl ester Formula: C29H39NO6 MolecularWeight: 497.62306

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)N(CCC1=CC=CC=C1)CC2=C(C=C(C=C2)C(=O)OC(C)(C)C)C(C)C(=O)OC

Isomeric SMILES

CCCCOC(=O)N(CCC1=CC=CC=C1)CC2=C(C=C(C=C2)C(=O)OC(C)(C)C)C(C)C(=O)OC

InChI

InChI=1S/C29H39NO6/c1-7-8-18-35-28(33)30(17-16-22-12-10-9-11-13-22)20-24-15-14-23(27(32)36-29(3,4)5)19-25(24)21(2)26(31)34-6/h9-15,19,21H,7-8,16-18,20H2,1-6H3