methyl (E)-7-[2-(aminomethyl)-5-[(4-phenylphenyl)methoxy]cyclopentyl]hept-5-enoate

Systemtic Name: methyl (E)-7-[2-(aminomethyl)-5-[(4-phenylphenyl)methoxy]cyclopentyl]hept-5-enoate Openeye Name: methyl (E)-7-[2-(aminomethyl)-5-[(4-phenylphenyl)methoxy]cyclopentyl]hept-5-enoate CAS Name: (E)-7-[2-(aminomethyl)-5-[(4-phenylphenyl)methoxy]cyclopentyl]-5-heptenoic acid methyl ester IUPAC Name: methyl (E)-7-[2-(aminomethyl)-5-[(4-phenylphenyl)methoxy]cyclopentyl]hept-5-enoate Traditional Name: (E)-7-[2-(aminomethyl)-5-(4-phenylbenzyl)oxy-cyclopentyl]hept-5-enoic acid methyl ester Formula: C27H35NO3 MolecularWeight: 421.5717

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCC=CCC1C(CCC1OCC2=CC=C(C=C2)C3=CC=CC=C3)CN

Isomeric SMILES

COC(=O)CCC/C=C/CC1C(CCC1OCC2=CC=C(C=C2)C3=CC=CC=C3)CN

InChI

InChI=1S/C27H35NO3/c1-30-27(29)12-8-3-2-7-11-25-24(19-28)17-18-26(25)31-20-21-13-15-23(16-14-21)22-9-5-4-6-10-22/h2,4-7,9-10,13-16,24-26H,3,8,11-12,17-20,28H2,1H3/b7-2+