[(2S)-2-[[4-(2-azanylethoxy)-3-methoxy-phenyl]methylcarbamoylamino]-3-phenyl-propyl] 2,2-dimethylpropanoate

Systemtic Name: [(2S)-2-[[4-(2-azanylethoxy)-3-methoxy-phenyl]methylcarbamoylamino]-3-phenyl-propyl] 2,2-dimethylpropanoate Openeye Name: [(2S)-2-[[4-(2-aminoethoxy)-3-methoxy-phenyl]methylcarbamoylamino]-3-phenyl-propyl] 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [(2S)-2-[[[[4-(2-aminoethoxy)-3-methoxyphenyl]methylamino]-oxomethyl]amino]-3-phenylpropyl] ester IUPAC Name: [(2S)-2-[[4-(2-aminoethoxy)-3-methoxyphenyl]methylcarbamoylamino]-3-phenylpropyl] 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [(2S)-2-[[4-(2-aminoethoxy)-3-methoxy-benzyl]carbamoylamino]-3-phenyl-propyl] ester Formula: C25H35N3O5 MolecularWeight: 457.5625

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OCC(CC1=CC=CC=C1)NC(=O)NCC2=CC(=C(C=C2)OCCN)OC

Isomeric SMILES

CC(C)(C)C(=O)OC[C@H](CC1=CC=CC=C1)NC(=O)NCC2=CC(=C(C=C2)OCCN)OC

InChI

InChI=1S/C25H35N3O5/c1-25(2,3)23(29)33-17-20(14-18-8-6-5-7-9-18)28-24(30)27-16-19-10-11-21(32-13-12-26)22(15-19)31-4/h5-11,15,20H,12-14,16-17,26H2,1-4H3,(H2,27,28,30)/t20-/m0/s1