methyl 5-[2-chloranyl-4-(3-phenylmethoxyphenoxy)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate

Systemtic Name: methyl 5-[2-chloranyl-4-(3-phenylmethoxyphenoxy)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate Openeye Name: methyl 5-[4-(3-benzyloxyphenoxy)-2-chloro-phenyl]-2-(tert-butoxycarbonylamino)pentanoate CAS Name: 5-[2-chloro-4-(3-phenylmethoxyphenoxy)phenyl]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]pentanoic acid methyl ester IUPAC Name: methyl 5-[2-chloro-4-(3-phenylmethoxyphenoxy)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate Traditional Name: 5-[4-(3-benzoxyphenoxy)-2-chloro-phenyl]-2-(tert-butoxycarbonylamino)valeric acid methyl ester Formula: C30H34ClNO6 MolecularWeight: 540.04706

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCCC1=C(C=C(C=C1)OC2=CC(=CC=C2)OCC3=CC=CC=C3)Cl)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)NC(CCCC1=C(C=C(C=C1)OC2=CC(=CC=C2)OCC3=CC=CC=C3)Cl)C(=O)OC

InChI

InChI=1S/C30H34ClNO6/c1-30(2,3)38-29(34)32-27(28(33)35-4)15-8-12-22-16-17-25(19-26(22)31)37-24-14-9-13-23(18-24)36-20-21-10-6-5-7-11-21/h5-7,9-11,13-14,16-19,27H,8,12,15,20H2,1-4H3,(H,32,34)