(E)-7-[2-(3-methoxyphenyl)-1-(phenylmethyl)pyrrolidin-3-yl]hept-5-enoic acid

Systemtic Name: (E)-7-[2-(3-methoxyphenyl)-1-(phenylmethyl)pyrrolidin-3-yl]hept-5-enoic acid Openeye Name: (E)-7-[1-benzyl-2-(3-methoxyphenyl)pyrrolidin-3-yl]hept-5-enoic acid CAS Name: (E)-7-[2-(3-methoxyphenyl)-1-(phenylmethyl)-3-pyrrolidinyl]-5-heptenoic acid IUPAC Name: (E)-7-[1-benzyl-2-(3-methoxyphenyl)pyrrolidin-3-yl]hept-5-enoic acid Traditional Name: (E)-7-[1-benzyl-2-(3-methoxyphenyl)pyrrolidin-3-yl]hept-5-enoic acid Formula: C25H31NO3 MolecularWeight: 393.51854

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2C(CCN2CC3=CC=CC=C3)CC=CCCCC(=O)O

Isomeric SMILES

COC1=CC=CC(=C1)C2C(CCN2CC3=CC=CC=C3)C/C=C/CCCC(=O)O

InChI

InChI=1S/C25H31NO3/c1-29-23-14-9-13-22(18-23)25-21(12-7-2-3-8-15-24(27)28)16-17-26(25)19-20-10-5-4-6-11-20/h2,4-7,9-11,13-14,18,21,25H,3,8,12,15-17,19H2,1H3,(H,27,28)/b7-2+