methyl 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxidanylidene-azepan-1-yl]-3-phenyl-propanoate

Systemtic Name: methyl 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxidanylidene-azepan-1-yl]-3-phenyl-propanoate Openeye Name: methyl 2-[3-(tert-butoxycarbonylamino)-2-oxo-azepan-1-yl]-3-phenyl-propanoate CAS Name: 2-[3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-2-oxo-1-azepanyl]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxoazepan-1-yl]-3-phenylpropanoate Traditional Name: 2-[3-(tert-butoxycarbonylamino)-2-keto-azepan-1-yl]-3-phenyl-propionic acid methyl ester Formula: C21H30N2O5 MolecularWeight: 390.4733

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1CCCCN(C1=O)C(CC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)NC1CCCCN(C1=O)C(CC2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C21H30N2O5/c1-21(2,3)28-20(26)22-16-12-8-9-13-23(18(16)24)17(19(25)27-4)14-15-10-6-5-7-11-15/h5-7,10-11,16-17H,8-9,12-14H2,1-4H3,(H,22,26)