2-[1-(4-bromophenyl)carbonylpiperidin-4-yl]-2,2-bis(2-methylphenoxy)ethanoic acid

Systemtic Name: 2-[1-(4-bromophenyl)carbonylpiperidin-4-yl]-2,2-bis(2-methylphenoxy)ethanoic acid Openeye Name: 2-[1-(4-bromobenzoyl)-4-piperidyl]-2,2-bis(2-methylphenoxy)acetic acid CAS Name: 2-[1-[(4-bromophenyl)-oxomethyl]-4-piperidinyl]-2,2-bis(2-methylphenoxy)acetic acid IUPAC Name: 2-[1-(4-bromobenzoyl)piperidin-4-yl]-2,2-bis(2-methylphenoxy)acetic acid Traditional Name: 2-[1-(4-bromobenzoyl)-4-piperidyl]-2,2-bis(2-methylphenoxy)acetic acid Formula: C28H28BrNO5 MolecularWeight: 538.42962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OC(C2CCN(CC2)C(=O)C3=CC=C(C=C3)Br)(C(=O)O)OC4=CC=CC=C4C

Isomeric SMILES

CC1=CC=CC=C1OC(C2CCN(CC2)C(=O)C3=CC=C(C=C3)Br)(C(=O)O)OC4=CC=CC=C4C

InChI

InChI=1S/C28H28BrNO5/c1-19-7-3-5-9-24(19)34-28(27(32)33,35-25-10-6-4-8-20(25)2)22-15-17-30(18-16-22)26(31)21-11-13-23(29)14-12-21/h3-14,22H,15-18H2,1-2H3,(H,32,33)