ethyl 2-[4-oxidanyl-3-[[4-(4-phenylbutoxy)phenyl]carbonylamino]phenyl]ethanoate

Systemtic Name: ethyl 2-[4-oxidanyl-3-[[4-(4-phenylbutoxy)phenyl]carbonylamino]phenyl]ethanoate Openeye Name: ethyl 2-[4-hydroxy-3-[[4-(4-phenylbutoxy)benzoyl]amino]phenyl]acetate CAS Name: 2-[4-hydroxy-3-[[oxo-[4-(4-phenylbutoxy)phenyl]methyl]amino]phenyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-hydroxy-3-[[4-(4-phenylbutoxy)benzoyl]amino]phenyl]acetate Traditional Name: 2-[4-hydroxy-3-[[4-(4-phenylbutoxy)benzoyl]amino]phenyl]acetic acid ethyl ester Formula: C27H29NO5 MolecularWeight: 447.52286

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=CC(=C(C=C1)O)NC(=O)C2=CC=C(C=C2)OCCCCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CC1=CC(=C(C=C1)O)NC(=O)C2=CC=C(C=C2)OCCCCC3=CC=CC=C3

InChI

InChI=1S/C27H29NO5/c1-2-32-26(30)19-21-11-16-25(29)24(18-21)28-27(31)22-12-14-23(15-13-22)33-17-7-6-10-20-8-4-3-5-9-20/h3-5,8-9,11-16,18,29H,2,6-7,10,17,19H2,1H3,(H,28,31)