4-[5-[4-(aminomethyl)phenyl]-2-oxidanyl-phenyl]cyclohexane-1-carboxylic acid; N-methylmethanamide

Systemtic Name: 4-[5-[4-(aminomethyl)phenyl]-2-oxidanyl-phenyl]cyclohexane-1-carboxylic acid; N-methylmethanamide Openeye Name: 4-[5-[4-(aminomethyl)phenyl]-2-hydroxy-phenyl]cyclohexanecarboxylic acid; N-methylformamide CAS Name: 4-[5-[4-(aminomethyl)phenyl]-2-hydroxyphenyl]-1-cyclohexanecarboxylic acid; N-methylformamide IUPAC Name: 4-[5-[4-(aminomethyl)phenyl]-2-hydroxyphenyl]cyclohexane-1-carboxylic acid; N-methylformamide Traditional Name: 4-[5-[4-(aminomethyl)phenyl]-2-hydroxy-phenyl]cyclohexanecarboxylic acid; N-methylformamide Formula: C22H28N2O4 MolecularWeight: 384.46872

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Descriptors Computed from Structure

Canonical SMILES:

CNC=O.C1CC(CCC1C2=C(C=CC(=C2)C3=CC=C(C=C3)CN)O)C(=O)O

Isomeric SMILES

CNC=O.C1CC(CCC1C2=C(C=CC(=C2)C3=CC=C(C=C3)CN)O)C(=O)O

InChI

InChI=1S/C20H23NO3.C2H5NO/c21-12-13-1-3-14(4-2-13)17-9-10-19(22)18(11-17)15-5-7-16(8-6-15)20(23)24;1-3-2-4/h1-4,9-11,15-16,22H,5-8,12,21H2,(H,23,24);2H,1H3,(H,3,4)