(E)-3-(3-methoxy-4-phenylmethoxy-phenyl)-1-(4-pyrrolidin-1-ylpiperidin-1-yl)prop-2-en-1-one

Systemtic Name: (E)-3-(3-methoxy-4-phenylmethoxy-phenyl)-1-(4-pyrrolidin-1-ylpiperidin-1-yl)prop-2-en-1-one Openeye Name: (E)-3-(4-benzyloxy-3-methoxy-phenyl)-1-(4-pyrrolidin-1-yl-1-piperidyl)prop-2-en-1-one CAS Name: (E)-3-(3-methoxy-4-phenylmethoxyphenyl)-1-[4-(1-pyrrolidinyl)-1-piperidinyl]-2-propen-1-one IUPAC Name: (E)-3-(3-methoxy-4-phenylmethoxyphenyl)-1-(4-pyrrolidin-1-ylpiperidin-1-yl)prop-2-en-1-one Traditional Name: (E)-3-(4-benzoxy-3-methoxy-phenyl)-1-(4-pyrrolidinopiperidino)prop-2-en-1-one Formula: C26H32N2O3 MolecularWeight: 420.54388

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC(=O)N2CCC(CC2)N3CCCC3)OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/C(=O)N2CCC(CC2)N3CCCC3)OCC4=CC=CC=C4

InChI

InChI=1S/C26H32N2O3/c1-30-25-19-21(9-11-24(25)31-20-22-7-3-2-4-8-22)10-12-26(29)28-17-13-23(14-18-28)27-15-5-6-16-27/h2-4,7-12,19,23H,5-6,13-18,20H2,1H3/b12-10+