5-bromanyl-2-methoxy-4-[2-[[(3-methylphenyl)-(2-methyl-6-piperidin-1-yl-phenyl)methyl]amino]-2-oxidanylidene-ethyl]benzoic acid

Systemtic Name: 5-bromanyl-2-methoxy-4-[2-[[(3-methylphenyl)-(2-methyl-6-piperidin-1-yl-phenyl)methyl]amino]-2-oxidanylidene-ethyl]benzoic acid Openeye Name: 5-bromo-2-methoxy-4-[2-[[[2-methyl-6-(1-piperidyl)phenyl]-(m-tolyl)methyl]amino]-2-oxo-ethyl]benzoic acid CAS Name: 5-bromo-2-methoxy-4-[2-[[(3-methylphenyl)-[2-methyl-6-(1-piperidinyl)phenyl]methyl]amino]-2-oxoethyl]benzoic acid IUPAC Name: 5-bromo-2-methoxy-4-[2-[[(3-methylphenyl)-(2-methyl-6-piperidin-1-ylphenyl)methyl]amino]-2-oxoethyl]benzoic acid Traditional Name: 5-bromo-4-[2-keto-2-[[(2-methyl-6-piperidino-phenyl)-(m-tolyl)methyl]amino]ethyl]-2-methoxy-benzoic acid Formula: C30H33BrN2O4 MolecularWeight: 565.49802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C(C2=C(C=CC=C2N3CCCCC3)C)NC(=O)CC4=C(C=C(C(=C4)OC)C(=O)O)Br

Isomeric SMILES

CC1=CC(=CC=C1)C(C2=C(C=CC=C2N3CCCCC3)C)NC(=O)CC4=C(C=C(C(=C4)OC)C(=O)O)Br

InChI

InChI=1S/C30H33BrN2O4/c1-19-9-7-11-21(15-19)29(28-20(2)10-8-12-25(28)33-13-5-4-6-14-33)32-27(34)17-22-16-26(37-3)23(30(35)36)18-24(22)31/h7-12,15-16,18,29H,4-6,13-14,17H2,1-3H3,(H,32,34)(H,35,36)