2-[6-bromanyl-1-(carboxymethyl)indol-3-yl]-2-[4-(phenylmethyl)piperidin-1-yl]ethanoic acid

Systemtic Name: 2-[6-bromanyl-1-(carboxymethyl)indol-3-yl]-2-[4-(phenylmethyl)piperidin-1-yl]ethanoic acid Openeye Name: 2-(4-benzyl-1-piperidyl)-2-[6-bromo-1-(carboxymethyl)indol-3-yl]acetic acid CAS Name: 2-[6-bromo-1-(carboxymethyl)-3-indolyl]-2-[4-(phenylmethyl)-1-piperidinyl]acetic acid IUPAC Name: 2-(4-benzylpiperidin-1-yl)-2-[6-bromo-1-(carboxymethyl)indol-3-yl]acetic acid Traditional Name: 2-(4-benzylpiperidino)-2-[6-bromo-1-(carboxymethyl)indol-3-yl]acetic acid Formula: C24H25BrN2O4 MolecularWeight: 485.3703

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C(C3=CN(C4=C3C=CC(=C4)Br)CC(=O)O)C(=O)O

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C(C3=CN(C4=C3C=CC(=C4)Br)CC(=O)O)C(=O)O

InChI

InChI=1S/C24H25BrN2O4/c25-18-6-7-19-20(14-27(15-22(28)29)21(19)13-18)23(24(30)31)26-10-8-17(9-11-26)12-16-4-2-1-3-5-16/h1-7,13-14,17,23H,8-12,15H2,(H,28,29)(H,30,31)