1-[(2-bromophenyl)-(3,4-diethoxyphenyl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(2-bromophenyl)-(3,4-diethoxyphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(2-bromophenyl)-(3,4-diethoxyphenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(2-bromophenyl)-(3,4-diethoxyphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(2-bromophenyl)-(3,4-diethoxyphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(2-bromophenyl)-(3,4-diethoxyphenyl)methyl]isonipecotic acid Formula: C23H28BrNO4 MolecularWeight: 462.37672

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(C2=CC=CC=C2Br)N3CCC(CC3)C(=O)O)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(C2=CC=CC=C2Br)N3CCC(CC3)C(=O)O)OCC

InChI

InChI=1S/C23H28BrNO4/c1-3-28-20-10-9-17(15-21(20)29-4-2)22(18-7-5-6-8-19(18)24)25-13-11-16(12-14-25)23(26)27/h5-10,15-16,22H,3-4,11-14H2,1-2H3,(H,26,27)