methyl (E)-2-[4-[2-oxidanyl-3-[(phenylmethyl)amino]propoxy]phenyl]-3-phenyl-prop-2-enoate

Systemtic Name: methyl (E)-2-[4-[2-oxidanyl-3-[(phenylmethyl)amino]propoxy]phenyl]-3-phenyl-prop-2-enoate Openeye Name: methyl (E)-2-[4-[3-(benzylamino)-2-hydroxy-propoxy]phenyl]-3-phenyl-prop-2-enoate CAS Name: (E)-2-[4-[2-hydroxy-3-[(phenylmethyl)amino]propoxy]phenyl]-3-phenyl-2-propenoic acid methyl ester IUPAC Name: methyl (E)-2-[4-[3-(benzylamino)-2-hydroxypropoxy]phenyl]-3-phenylprop-2-enoate Traditional Name: (E)-2-[4-[3-(benzylamino)-2-hydroxy-propoxy]phenyl]-3-phenyl-acrylic acid methyl ester Formula: C26H27NO4 MolecularWeight: 417.49688

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=CC1=CC=CC=C1)C2=CC=C(C=C2)OCC(CNCC3=CC=CC=C3)O

Isomeric SMILES

COC(=O)/C(=C/C1=CC=CC=C1)/C2=CC=C(C=C2)OCC(CNCC3=CC=CC=C3)O

InChI

InChI=1S/C26H27NO4/c1-30-26(29)25(16-20-8-4-2-5-9-20)22-12-14-24(15-13-22)31-19-23(28)18-27-17-21-10-6-3-7-11-21/h2-16,23,27-28H,17-19H2,1H3/b25-16+