5-bromanyl-4-[2-[[(4-tert-butylphenyl)-(2-methyl-6-piperidin-1-yl-phenyl)methyl]amino]-2-oxidanylidene-ethyl]-2-methoxy-benzoic acid

Systemtic Name: 5-bromanyl-4-[2-[[(4-tert-butylphenyl)-(2-methyl-6-piperidin-1-yl-phenyl)methyl]amino]-2-oxidanylidene-ethyl]-2-methoxy-benzoic acid Openeye Name: 5-bromo-4-[2-[[(4-tert-butylphenyl)-[2-methyl-6-(1-piperidyl)phenyl]methyl]amino]-2-oxo-ethyl]-2-methoxy-benzoic acid CAS Name: 5-bromo-4-[2-[[(4-tert-butylphenyl)-[2-methyl-6-(1-piperidinyl)phenyl]methyl]amino]-2-oxoethyl]-2-methoxybenzoic acid IUPAC Name: 5-bromo-4-[2-[[(4-tert-butylphenyl)-(2-methyl-6-piperidin-1-ylphenyl)methyl]amino]-2-oxoethyl]-2-methoxybenzoic acid Traditional Name: 5-bromo-4-[2-[[(4-tert-butylphenyl)-(2-methyl-6-piperidino-phenyl)methyl]amino]-2-keto-ethyl]-2-methoxy-benzoic acid Formula: C33H39BrN2O4 MolecularWeight: 607.57776

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCCCC2)C(C3=CC=C(C=C3)C(C)(C)C)NC(=O)CC4=C(C=C(C(=C4)OC)C(=O)O)Br

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCCCC2)C(C3=CC=C(C=C3)C(C)(C)C)NC(=O)CC4=C(C=C(C(=C4)OC)C(=O)O)Br

InChI

InChI=1S/C33H39BrN2O4/c1-21-10-9-11-27(36-16-7-6-8-17-36)30(21)31(22-12-14-24(15-13-22)33(2,3)4)35-29(37)19-23-18-28(40-5)25(32(38)39)20-26(23)34/h9-15,18,20,31H,6-8,16-17,19H2,1-5H3,(H,35,37)(H,38,39)