3-[4-[3-(4-ethyl-7-oxidanylidene-1,4-diazepan-1-yl)propyl]phenyl]-2-propan-2-yloxy-propanoic acid

Systemtic Name: 3-[4-[3-(4-ethyl-7-oxidanylidene-1,4-diazepan-1-yl)propyl]phenyl]-2-propan-2-yloxy-propanoic acid Openeye Name: 3-[4-[3-(4-ethyl-7-oxo-1,4-diazepan-1-yl)propyl]phenyl]-2-isopropoxy-propanoic acid CAS Name: 3-[4-[3-(4-ethyl-7-oxo-1,4-diazepan-1-yl)propyl]phenyl]-2-propan-2-yloxypropanoic acid IUPAC Name: 3-[4-[3-(4-ethyl-7-oxo-1,4-diazepan-1-yl)propyl]phenyl]-2-propan-2-yloxypropanoic acid Traditional Name: 3-[4-[3-(4-ethyl-7-keto-1,4-diazepan-1-yl)propyl]phenyl]-2-isopropoxy-propionic acid Formula: C22H34N2O4 MolecularWeight: 390.51636

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCC(=O)N(CC1)CCCC2=CC=C(C=C2)CC(C(=O)O)OC(C)C

Isomeric SMILES

CCN1CCC(=O)N(CC1)CCCC2=CC=C(C=C2)CC(C(=O)O)OC(C)C

InChI

InChI=1S/C22H34N2O4/c1-4-23-13-11-21(25)24(15-14-23)12-5-6-18-7-9-19(10-8-18)16-20(22(26)27)28-17(2)3/h7-10,17,20H,4-6,11-16H2,1-3H3,(H,26,27)