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

Systemtic Name: 5-bromanyl-2-methoxy-4-[2-[[(4-methoxyphenyl)-[2-methyl-6-(4-phenoxypiperidin-1-yl)phenyl]methyl]amino]-2-oxidanylidene-ethyl]benzoic acid Openeye Name: 5-bromo-2-methoxy-4-[2-[[(4-methoxyphenyl)-[2-methyl-6-(4-phenoxy-1-piperidyl)phenyl]methyl]amino]-2-oxo-ethyl]benzoic acid CAS Name: 5-bromo-2-methoxy-4-[2-[[(4-methoxyphenyl)-[2-methyl-6-(4-phenoxy-1-piperidinyl)phenyl]methyl]amino]-2-oxoethyl]benzoic acid IUPAC Name: 5-bromo-2-methoxy-4-[2-[[(4-methoxyphenyl)-[2-methyl-6-(4-phenoxypiperidin-1-yl)phenyl]methyl]amino]-2-oxoethyl]benzoic acid Traditional Name: 5-bromo-4-[2-keto-2-[[(4-methoxyphenyl)-[2-methyl-6-(4-phenoxypiperidino)phenyl]methyl]amino]ethyl]-2-methoxy-benzoic acid Formula: C36H37BrN2O6 MolecularWeight: 673.59278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCC(CC2)OC3=CC=CC=C3)C(C4=CC=C(C=C4)OC)NC(=O)CC5=C(C=C(C(=C5)OC)C(=O)O)Br

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCC(CC2)OC3=CC=CC=C3)C(C4=CC=C(C=C4)OC)NC(=O)CC5=C(C=C(C(=C5)OC)C(=O)O)Br

InChI

InChI=1S/C36H37BrN2O6/c1-23-8-7-11-31(39-18-16-28(17-19-39)45-27-9-5-4-6-10-27)34(23)35(24-12-14-26(43-2)15-13-24)38-33(40)21-25-20-32(44-3)29(36(41)42)22-30(25)37/h4-15,20,22,28,35H,16-19,21H2,1-3H3,(H,38,40)(H,41,42)