(phenylmethyl) 3-[(E)-3-ethoxycarbonylpent-2-enyl]-1,3-dihydropyrrolo[3,4-b]quinoline-2-carboxylate

Systemtic Name: (phenylmethyl) 3-[(E)-3-ethoxycarbonylpent-2-enyl]-1,3-dihydropyrrolo[3,4-b]quinoline-2-carboxylate Openeye Name: benzyl 3-[(E)-3-ethoxycarbonylpent-2-enyl]-1,3-dihydropyrrolo[3,4-b]quinoline-2-carboxylate CAS Name: 3-[(E)-3-ethoxycarbonylpent-2-enyl]-1,3-dihydropyrrolo[3,4-b]quinoline-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-[(E)-3-ethoxycarbonylpent-2-enyl]-1,3-dihydropyrrolo[3,4-b]quinoline-2-carboxylate Traditional Name: 3-[(E)-3-carbethoxypent-2-enyl]-1,3-dihydropyrrolo[3,4-b]quinoline-2-carboxylic acid benzyl ester Formula: C27H28N2O4 MolecularWeight: 444.52222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=CCC1C2=NC3=CC=CC=C3C=C2CN1C(=O)OCC4=CC=CC=C4)C(=O)OCC

Isomeric SMILES

CC/C(=C\CC1C2=NC3=CC=CC=C3C=C2CN1C(=O)OCC4=CC=CC=C4)/C(=O)OCC

InChI

InChI=1S/C27H28N2O4/c1-3-20(26(30)32-4-2)14-15-24-25-22(16-21-12-8-9-13-23(21)28-25)17-29(24)27(31)33-18-19-10-6-5-7-11-19/h5-14,16,24H,3-4,15,17-18H2,1-2H3/b20-14+