1-[(5-bromanyl-2-methoxy-phenyl)-naphthalen-1-yl-methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(5-bromanyl-2-methoxy-phenyl)-naphthalen-1-yl-methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(5-bromo-2-methoxy-phenyl)-(1-naphthyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(5-bromo-2-methoxyphenyl)-(1-naphthalenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(5-bromo-2-methoxyphenyl)-naphthalen-1-ylmethyl]piperidine-3-carboxylic acid Traditional Name: 1-[(5-bromo-2-methoxy-phenyl)-(1-naphthyl)methyl]nipecotic acid Formula: C24H24BrNO3 MolecularWeight: 454.35626

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C(C2=CC=CC3=CC=CC=C32)N4CCCC(C4)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C(C2=CC=CC3=CC=CC=C32)N4CCCC(C4)C(=O)O

InChI

InChI=1S/C24H24BrNO3/c1-29-22-12-11-18(25)14-21(22)23(26-13-5-8-17(15-26)24(27)28)20-10-4-7-16-6-2-3-9-19(16)20/h2-4,6-7,9-12,14,17,23H,5,8,13,15H2,1H3,(H,27,28)