(E)-3-[4-(4-fluoranyl-4-phenoxy-cyclohexa-2,5-dien-1-yl)-5-methyl-1-piperidin-1-yl-2-propan-2-yl-pyrrol-3-yl]prop-2-enal

Systemtic Name: (E)-3-[4-(4-fluoranyl-4-phenoxy-cyclohexa-2,5-dien-1-yl)-5-methyl-1-piperidin-1-yl-2-propan-2-yl-pyrrol-3-yl]prop-2-enal Openeye Name: (E)-3-[4-(4-fluoro-4-phenoxy-cyclohexa-2,5-dien-1-yl)-2-isopropyl-5-methyl-1-(1-piperidyl)pyrrol-3-yl]prop-2-enal CAS Name: (E)-3-[4-(4-fluoro-4-phenoxy-1-cyclohexa-2,5-dienyl)-5-methyl-1-(1-piperidinyl)-2-propan-2-yl-3-pyrrolyl]-2-propenal IUPAC Name: (E)-3-[4-(4-fluoro-4-phenoxycyclohexa-2,5-dien-1-yl)-5-methyl-1-piperidin-1-yl-2-propan-2-ylpyrrol-3-yl]prop-2-enal Traditional Name: (E)-3-[4-(4-fluoro-4-phenoxy-cyclohexa-2,5-dien-1-yl)-2-isopropyl-5-methyl-1-piperidino-pyrrol-3-yl]acrolein Formula: C28H33FN2O2 MolecularWeight: 448.572223

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1N2CCCCC2)C(C)C)C=CC=O)C3C=CC(C=C3)(OC4=CC=CC=C4)F

Isomeric SMILES

CC1=C(C(=C(N1N2CCCCC2)C(C)C)/C=C/C=O)C3C=CC(C=C3)(OC4=CC=CC=C4)F

InChI

InChI=1S/C28H33FN2O2/c1-21(2)27-25(13-10-20-32)26(22(3)31(27)30-18-8-5-9-19-30)23-14-16-28(29,17-15-23)33-24-11-6-4-7-12-24/h4,6-7,10-17,20-21,23H,5,8-9,18-19H2,1-3H3/b13-10+