(2R)-2-[[3-(3-ethyl-1-methyl-azepan-3-yl)phenoxy]carbonylamino]-3-(4-hydroxyphenyl)propanoic acid

Systemtic Name: (2R)-2-[[3-(3-ethyl-1-methyl-azepan-3-yl)phenoxy]carbonylamino]-3-(4-hydroxyphenyl)propanoic acid Openeye Name: (2R)-2-[[3-(3-ethyl-1-methyl-azepan-3-yl)phenoxy]carbonylamino]-3-(4-hydroxyphenyl)propanoic acid CAS Name: (2R)-2-[[[3-(3-ethyl-1-methyl-3-azepanyl)phenoxy]-oxomethyl]amino]-3-(4-hydroxyphenyl)propanoic acid IUPAC Name: (2R)-2-[[3-(3-ethyl-1-methylazepan-3-yl)phenoxy]carbonylamino]-3-(4-hydroxyphenyl)propanoic acid Traditional Name: (2R)-2-[[3-(3-ethyl-1-methyl-azepan-3-yl)phenoxy]carbonylamino]-3-(4-hydroxyphenyl)propionic acid Formula: C25H32N2O5 MolecularWeight: 440.53198

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CCCCN(C1)C)C2=CC(=CC=C2)OC(=O)NC(CC3=CC=C(C=C3)O)C(=O)O

Isomeric SMILES

CCC1(CCCCN(C1)C)C2=CC(=CC=C2)OC(=O)N[C@H](CC3=CC=C(C=C3)O)C(=O)O

InChI

InChI=1S/C25H32N2O5/c1-3-25(13-4-5-14-27(2)17-25)19-7-6-8-21(16-19)32-24(31)26-22(23(29)30)15-18-9-11-20(28)12-10-18/h6-12,16,22,28H,3-5,13-15,17H2,1-2H3,(H,26,31)(H,29,30)/t22-,25?/m1/s1