2-[4-(azepan-1-yl)phenyl]-2-(4-dimethylaminophenyl)propanoic acid

Systemtic Name: 2-[4-(azepan-1-yl)phenyl]-2-(4-dimethylaminophenyl)propanoic acid Openeye Name: 2-[4-(azepan-1-yl)phenyl]-2-(4-dimethylaminophenyl)propanoic acid CAS Name: 2-[4-(1-azepanyl)phenyl]-2-(4-dimethylaminophenyl)propanoic acid IUPAC Name: 2-[4-(azepan-1-yl)phenyl]-2-(4-dimethylaminophenyl)propanoic acid Traditional Name: 2-[4-(azepan-1-yl)phenyl]-2-(4-dimethylaminophenyl)propionic acid Formula: C23H30N2O2 MolecularWeight: 366.4965

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)N2CCCCCC2)(C3=CC=C(C=C3)N(C)C)C(=O)O

Isomeric SMILES

CC(C1=CC=C(C=C1)N2CCCCCC2)(C3=CC=C(C=C3)N(C)C)C(=O)O

InChI

InChI=1S/C23H30N2O2/c1-23(22(26)27,18-8-12-20(13-9-18)24(2)3)19-10-14-21(15-11-19)25-16-6-4-5-7-17-25/h8-15H,4-7,16-17H2,1-3H3,(H,26,27)