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

Systemtic Name: 5-bromanyl-2-methoxy-4-[2-[[[2-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-(2-methyl-6-piperidin-1-yl-phenyl)methyl]amino]-2-oxidanylidene-ethyl]benzoic acid Openeye Name: 5-bromo-2-methoxy-4-[2-[[[2-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-[2-methyl-6-(1-piperidyl)phenyl]methyl]amino]-2-oxo-ethyl]benzoic acid CAS Name: 5-bromo-2-methoxy-4-[2-[[[2-methoxy-4-[2-(1-pyrrolidinyl)ethoxy]phenyl]-[2-methyl-6-(1-piperidinyl)phenyl]methyl]amino]-2-oxoethyl]benzoic acid IUPAC Name: 5-bromo-2-methoxy-4-[2-[[[2-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-(2-methyl-6-piperidin-1-ylphenyl)methyl]amino]-2-oxoethyl]benzoic acid Traditional Name: 5-bromo-4-[2-keto-2-[[[2-methoxy-4-(2-pyrrolidinoethoxy)phenyl]-(2-methyl-6-piperidino-phenyl)methyl]amino]ethyl]-2-methoxy-benzoic acid Formula: C36H44BrN3O6 MolecularWeight: 694.65506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCCCC2)C(C3=C(C=C(C=C3)OCCN4CCCC4)OC)NC(=O)CC5=C(C=C(C(=C5)OC)C(=O)O)Br

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCCCC2)C(C3=C(C=C(C=C3)OCCN4CCCC4)OC)NC(=O)CC5=C(C=C(C(=C5)OC)C(=O)O)Br

InChI

InChI=1S/C36H44BrN3O6/c1-24-10-9-11-30(40-16-5-4-6-17-40)34(24)35(38-33(41)21-25-20-31(44-2)28(36(42)43)23-29(25)37)27-13-12-26(22-32(27)45-3)46-19-18-39-14-7-8-15-39/h9-13,20,22-23,35H,4-8,14-19,21H2,1-3H3,(H,38,41)(H,42,43)