ethyl 2-[[5-bromanyl-4-[4-(methylamino)butoxy]-2-oxidanyl-phenyl]carbonylamino]-3-phenyl-propanoate

Systemtic Name: ethyl 2-[[5-bromanyl-4-[4-(methylamino)butoxy]-2-oxidanyl-phenyl]carbonylamino]-3-phenyl-propanoate Openeye Name: ethyl 2-[[5-bromo-2-hydroxy-4-[4-(methylamino)butoxy]benzoyl]amino]-3-phenyl-propanoate CAS Name: 2-[[[5-bromo-2-hydroxy-4-[4-(methylamino)butoxy]phenyl]-oxomethyl]amino]-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl 2-[[5-bromo-2-hydroxy-4-[4-(methylamino)butoxy]benzoyl]amino]-3-phenylpropanoate Traditional Name: 2-[[5-bromo-2-hydroxy-4-[4-(methylamino)butoxy]benzoyl]amino]-3-phenyl-propionic acid ethyl ester Formula: C23H29BrN2O5 MolecularWeight: 493.39076

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=CC=C1)NC(=O)C2=CC(=C(C=C2O)OCCCCNC)Br

Isomeric SMILES

CCOC(=O)C(CC1=CC=CC=C1)NC(=O)C2=CC(=C(C=C2O)OCCCCNC)Br

InChI

InChI=1S/C23H29BrN2O5/c1-3-30-23(29)19(13-16-9-5-4-6-10-16)26-22(28)17-14-18(24)21(15-20(17)27)31-12-8-7-11-25-2/h4-6,9-10,14-15,19,25,27H,3,7-8,11-13H2,1-2H3,(H,26,28)