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

Systemtic Name: 5-bromanyl-4-[2-[[furan-2-yl-(2-methyl-6-piperidin-1-yl-phenyl)methyl]amino]-2-oxidanylidene-ethyl]-2-methoxy-benzoic acid Openeye Name: 5-bromo-4-[2-[[2-furyl-[2-methyl-6-(1-piperidyl)phenyl]methyl]amino]-2-oxo-ethyl]-2-methoxy-benzoic acid CAS Name: 5-bromo-4-[2-[[2-furanyl-[2-methyl-6-(1-piperidinyl)phenyl]methyl]amino]-2-oxoethyl]-2-methoxybenzoic acid IUPAC Name: 5-bromo-4-[2-[[furan-2-yl-(2-methyl-6-piperidin-1-ylphenyl)methyl]amino]-2-oxoethyl]-2-methoxybenzoic acid Traditional Name: 5-bromo-4-[2-[[2-furyl-(2-methyl-6-piperidino-phenyl)methyl]amino]-2-keto-ethyl]-2-methoxy-benzoic acid Formula: C27H29BrN2O5 MolecularWeight: 541.43356

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCCCC2)C(C3=CC=CO3)NC(=O)CC4=C(C=C(C(=C4)OC)C(=O)O)Br

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCCCC2)C(C3=CC=CO3)NC(=O)CC4=C(C=C(C(=C4)OC)C(=O)O)Br

InChI

InChI=1S/C27H29BrN2O5/c1-17-8-6-9-21(30-11-4-3-5-12-30)25(17)26(22-10-7-13-35-22)29-24(31)15-18-14-23(34-2)19(27(32)33)16-20(18)28/h6-10,13-14,16,26H,3-5,11-12,15H2,1-2H3,(H,29,31)(H,32,33)