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

Systemtic Name: 5-bromanyl-2-methoxy-4-[2-[[(4-methoxyphenyl)methylamino]-(2-piperidin-1-ylphenyl)amino]-2-oxidanylidene-ethyl]benzoic acid Openeye Name: 5-bromo-2-methoxy-4-[2-[N-[(4-methoxyphenyl)methylamino]-2-(1-piperidyl)anilino]-2-oxo-ethyl]benzoic acid CAS Name: 5-bromo-2-methoxy-4-[2-[N-[(4-methoxyphenyl)methylamino]-2-(1-piperidinyl)anilino]-2-oxoethyl]benzoic acid IUPAC Name: 5-bromo-2-methoxy-4-[2-(N-[(4-methoxyphenyl)methylamino]-2-piperidin-1-ylanilino)-2-oxoethyl]benzoic acid Traditional Name: 5-bromo-4-[2-keto-2-(N-(p-anisylamino)-2-piperidino-anilino)ethyl]-2-methoxy-benzoic acid Formula: C29H32BrN3O5 MolecularWeight: 582.48548

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNN(C2=CC=CC=C2N3CCCCC3)C(=O)CC4=C(C=C(C(=C4)OC)C(=O)O)Br

Isomeric SMILES

COC1=CC=C(C=C1)CNN(C2=CC=CC=C2N3CCCCC3)C(=O)CC4=C(C=C(C(=C4)OC)C(=O)O)Br

InChI

InChI=1S/C29H32BrN3O5/c1-37-22-12-10-20(11-13-22)19-31-33(26-9-5-4-8-25(26)32-14-6-3-7-15-32)28(34)17-21-16-27(38-2)23(29(35)36)18-24(21)30/h4-5,8-13,16,18,31H,3,6-7,14-15,17,19H2,1-2H3,(H,35,36)