aniline; (2S)-2-[2-(3,5-dimethoxyphenyl)propan-2-yloxycarbonylamino]-3-methyl-butanoic acid

Systemtic Name: aniline; (2S)-2-[2-(3,5-dimethoxyphenyl)propan-2-yloxycarbonylamino]-3-methyl-butanoic acid Openeye Name: aniline; (2S)-2-[[1-(3,5-dimethoxyphenyl)-1-methyl-ethoxy]carbonylamino]-3-methyl-butanoic acid CAS Name: aniline; (2S)-2-[[2-(3,5-dimethoxyphenyl)propan-2-yloxy-oxomethyl]amino]-3-methylbutanoic acid IUPAC Name: aniline; (2S)-2-[2-(3,5-dimethoxyphenyl)propan-2-yloxycarbonylamino]-3-methylbutanoic acid Traditional Name: (2S)-2-[[1-(3,5-dimethoxyphenyl)-1-methyl-ethoxy]carbonylamino]-3-methyl-butyric acid; phenylamine Formula: C23H32N2O6 MolecularWeight: 432.50998

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)OC(C)(C)C1=CC(=CC(=C1)OC)OC.C1=CC=C(C=C1)N

Isomeric SMILES

CC(C)[C@@H](C(=O)O)NC(=O)OC(C)(C)C1=CC(=CC(=C1)OC)OC.C1=CC=C(C=C1)N

InChI

InChI=1S/C17H25NO6.C6H7N/c1-10(2)14(15(19)20)18-16(21)24-17(3,4)11-7-12(22-5)9-13(8-11)23-6;7-6-4-2-1-3-5-6/h7-10,14H,1-6H3,(H,18,21)(H,19,20);1-5H,7H2/t14-;/m0./s1