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

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

Systemtic Name:2,2-bis[4-(azepan-1-yl)phenyl]propanoic acid
Openeye Name:2,2-bis[4-(azepan-1-yl)phenyl]propanoic acid
CAS Name:2,2-bis[4-(1-azepanyl)phenyl]propanoic acid
IUPAC Name:2,2-bis[4-(azepan-1-yl)phenyl]propanoic acid
Traditional Name:2,2-bis[4-(azepan-1-yl)phenyl]propionic acid
Formula: C27H36N2O2
MolecularWeight: 420.58694
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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)N2CCCCCC2)(C3=CC=C(C=C3)N4CCCCCC4)C(=O)O


Isomeric SMILES

CC(C1=CC=C(C=C1)N2CCCCCC2)(C3=CC=C(C=C3)N4CCCCCC4)C(=O)O


InChI

InChI=1S/C27H36N2O2/c1-27(26(30)31,22-10-14-24(15-11-22)28-18-6-2-3-7-19-28)23-12-16-25(17-13-23)29-20-8-4-5-9-21-29/h10-17H,2-9,18-21H2,1H3,(H,30,31)


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