6-[(5-bromanyl-2-phenylmethoxy-phenyl)methyl-(cyclopropylmethyl)amino]pyridine-3-carboxylic acid

Systemtic Name: 6-[(5-bromanyl-2-phenylmethoxy-phenyl)methyl-(cyclopropylmethyl)amino]pyridine-3-carboxylic acid Openeye Name: 6-[(2-benzyloxy-5-bromo-phenyl)methyl-(cyclopropylmethyl)amino]pyridine-3-carboxylic acid CAS Name: 6-[(5-bromo-2-phenylmethoxyphenyl)methyl-(cyclopropylmethyl)amino]-3-pyridinecarboxylic acid IUPAC Name: 6-[(5-bromo-2-phenylmethoxyphenyl)methyl-(cyclopropylmethyl)amino]pyridine-3-carboxylic acid Traditional Name: 6-[(2-benzoxy-5-bromo-benzyl)-(cyclopropylmethyl)amino]nicotinic acid Formula: C24H23BrN2O3 MolecularWeight: 467.35502

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1CN(CC2=C(C=CC(=C2)Br)OCC3=CC=CC=C3)C4=NC=C(C=C4)C(=O)O

Isomeric SMILES

C1CC1CN(CC2=C(C=CC(=C2)Br)OCC3=CC=CC=C3)C4=NC=C(C=C4)C(=O)O

InChI

InChI=1S/C24H23BrN2O3/c25-21-9-10-22(30-16-18-4-2-1-3-5-18)20(12-21)15-27(14-17-6-7-17)23-11-8-19(13-26-23)24(28)29/h1-5,8-13,17H,6-7,14-16H2,(H,28,29)