[2-[2-(1H-indol-3-yl)ethylamino]-2-oxidanylidene-ethyl] (3S)-6-chloranyl-3,4-dihydro-2H-chromene-3-carboxylate

Systemtic Name: [2-[2-(1H-indol-3-yl)ethylamino]-2-oxidanylidene-ethyl] (3S)-6-chloranyl-3,4-dihydro-2H-chromene-3-carboxylate Openeye Name: [2-[2-(1H-indol-3-yl)ethylamino]-2-oxo-ethyl] (3S)-6-chlorochromane-3-carboxylate CAS Name: (3S)-6-chloro-3,4-dihydro-2H-1-benzopyran-3-carboxylic acid [2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl] (3S)-6-chloro-3,4-dihydro-2H-chromene-3-carboxylate Traditional Name: (3S)-6-chlorochroman-3-carboxylic acid [2-[2-(1H-indol-3-yl)ethylamino]-2-keto-ethyl] ester Formula: C22H21ClN2O4 MolecularWeight: 412.86614

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Descriptors Computed from Structure

Canonical SMILES:

C1C(COC2=C1C=C(C=C2)Cl)C(=O)OCC(=O)NCCC3=CNC4=CC=CC=C43

Isomeric SMILES

C1[C@@H](COC2=C1C=C(C=C2)Cl)C(=O)OCC(=O)NCCC3=CNC4=CC=CC=C43

InChI

InChI=1S/C22H21ClN2O4/c23-17-5-6-20-15(10-17)9-16(12-28-20)22(27)29-13-21(26)24-8-7-14-11-25-19-4-2-1-3-18(14)19/h1-6,10-11,16,25H,7-9,12-13H2,(H,24,26)/t16-/m0/s1