5-bromanyl-2-methoxy-4-[2-oxidanylidene-2-[[(4-phenylmethoxyphenyl)methylamino]-(2-piperidin-1-ylphenyl)amino]ethyl]benzoic acid

Systemtic Name: 5-bromanyl-2-methoxy-4-[2-oxidanylidene-2-[[(4-phenylmethoxyphenyl)methylamino]-(2-piperidin-1-ylphenyl)amino]ethyl]benzoic acid Openeye Name: 4-[2-[N-[(4-benzyloxyphenyl)methylamino]-2-(1-piperidyl)anilino]-2-oxo-ethyl]-5-bromo-2-methoxy-benzoic acid CAS Name: 5-bromo-2-methoxy-4-[2-oxo-2-[N-[(4-phenylmethoxyphenyl)methylamino]-2-(1-piperidinyl)anilino]ethyl]benzoic acid IUPAC Name: 5-bromo-2-methoxy-4-[2-oxo-2-(N-[(4-phenylmethoxyphenyl)methylamino]-2-piperidin-1-ylanilino)ethyl]benzoic acid Traditional Name: 4-[2-(N-[(4-benzoxybenzyl)amino]-2-piperidino-anilino)-2-keto-ethyl]-5-bromo-2-methoxy-benzoic acid Formula: C35H36BrN3O5 MolecularWeight: 658.58144

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)O)Br)CC(=O)N(C2=CC=CC=C2N3CCCCC3)NCC4=CC=C(C=C4)OCC5=CC=CC=C5

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)O)Br)CC(=O)N(C2=CC=CC=C2N3CCCCC3)NCC4=CC=C(C=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C35H36BrN3O5/c1-43-33-20-27(30(36)22-29(33)35(41)42)21-34(40)39(32-13-7-6-12-31(32)38-18-8-3-9-19-38)37-23-25-14-16-28(17-15-25)44-24-26-10-4-2-5-11-26/h2,4-7,10-17,20,22,37H,3,8-9,18-19,21,23-24H2,1H3,(H,41,42)