tert-butyl (E)-6-[2-(azepan-1-yl)-5-[(4-phenylphenyl)methoxy]cyclopentyl]oxyhex-4-enoate

Systemtic Name: tert-butyl (E)-6-[2-(azepan-1-yl)-5-[(4-phenylphenyl)methoxy]cyclopentyl]oxyhex-4-enoate Openeye Name: tert-butyl (E)-6-[2-(azepan-1-yl)-5-[(4-phenylphenyl)methoxy]cyclopentoxy]hex-4-enoate CAS Name: (E)-6-[2-(1-azepanyl)-5-[(4-phenylphenyl)methoxy]cyclopentyl]oxy-4-hexenoic acid tert-butyl ester IUPAC Name: tert-butyl (E)-6-[2-(azepan-1-yl)-5-[(4-phenylphenyl)methoxy]cyclopentyl]oxyhex-4-enoate Traditional Name: (E)-6-[2-(azepan-1-yl)-5-(4-phenylbenzyl)oxy-cyclopentoxy]hex-4-enoic acid tert-butyl ester Formula: C34H47NO4 MolecularWeight: 533.74128

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CCC=CCOC1C(CCC1OCC2=CC=C(C=C2)C3=CC=CC=C3)N4CCCCCC4

Isomeric SMILES

CC(C)(C)OC(=O)CC/C=C/COC1C(CCC1OCC2=CC=C(C=C2)C3=CC=CC=C3)N4CCCCCC4

InChI

InChI=1S/C34H47NO4/c1-34(2,3)39-32(36)16-10-7-13-25-37-33-30(35-23-11-4-5-12-24-35)21-22-31(33)38-26-27-17-19-29(20-18-27)28-14-8-6-9-15-28/h6-9,13-15,17-20,30-31,33H,4-5,10-12,16,21-26H2,1-3H3/b13-7+