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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C(=O)OCC(=O)N(C2=CC=CC=C2N3CCCCC3)NCC4=CC=C(C=C4)OCC5=CC=CC=C5

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C(=O)OCC(=O)N(C2=CC=CC=C2N3CCCCC3)NCC4=CC=C(C=C4)OCC5=CC=CC=C5

InChI

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