3-[1-[2-(1-adamantyloxy)ethyl]-5-phenyl-pyrrol-2-yl]propanoic acid

Systemtic Name: 3-[1-[2-(1-adamantyloxy)ethyl]-5-phenyl-pyrrol-2-yl]propanoic acid Openeye Name: 3-[1-[2-(1-adamantyloxy)ethyl]-5-phenyl-pyrrol-2-yl]propanoic acid CAS Name: 3-[1-[2-(1-adamantyloxy)ethyl]-5-phenyl-2-pyrrolyl]propanoic acid IUPAC Name: 3-[1-[2-(1-adamantyloxy)ethyl]-5-phenylpyrrol-2-yl]propanoic acid Traditional Name: 3-[1-[2-(1-adamantyloxy)ethyl]-5-phenyl-pyrrol-2-yl]propionic acid Formula: C25H31NO3 MolecularWeight: 393.51854

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)OCCN4C(=CC=C4C5=CC=CC=C5)CCC(=O)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)OCCN4C(=CC=C4C5=CC=CC=C5)CCC(=O)O

InChI

InChI=1S/C25H31NO3/c27-24(28)9-7-22-6-8-23(21-4-2-1-3-5-21)26(22)10-11-29-25-15-18-12-19(16-25)14-20(13-18)17-25/h1-6,8,18-20H,7,9-17H2,(H,27,28)