O1-ethyl O4-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxidanylidene-ethyl] (E)-but-2-enedioate

Systemtic Name: O1-ethyl O4-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxidanylidene-ethyl] (E)-but-2-enedioate Openeye Name: O1-ethyl O4-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxo-ethyl] (E)-but-2-enedioate CAS Name: (E)-2-butenedioic acid O1-ethyl ester O4-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl] ester IUPAC Name: 1-O-ethyl 4-O-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl] (E)-but-2-enedioate Traditional Name: (E)-but-2-enedioic acid O1-ethyl ester O4-[2-[2-(1H-indol-3-yl)ethylamino]-2-keto-ethyl] ester Formula: C18H20N2O5 MolecularWeight: 344.3618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(=O)OCC(=O)NCCC1=CNC2=CC=CC=C21

Isomeric SMILES

CCOC(=O)/C=C/C(=O)OCC(=O)NCCC1=CNC2=CC=CC=C21

InChI

InChI=1S/C18H20N2O5/c1-2-24-17(22)7-8-18(23)25-12-16(21)19-10-9-13-11-20-15-6-4-3-5-14(13)15/h3-8,11,20H,2,9-10,12H2,1H3,(H,19,21)/b8-7+