[2-oxidanylidene-2-[(4-pyrrolidin-1-ylphenyl)amino]ethyl] (3S)-6-chloranyl-3,4-dihydro-2H-chromene-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-[(4-pyrrolidin-1-ylphenyl)amino]ethyl] (3S)-6-chloranyl-3,4-dihydro-2H-chromene-3-carboxylate Openeye Name: [2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl] (3S)-6-chlorochromane-3-carboxylate CAS Name: (3S)-6-chloro-3,4-dihydro-2H-1-benzopyran-3-carboxylic acid [2-oxo-2-[4-(1-pyrrolidinyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl] (3S)-6-chloro-3,4-dihydro-2H-chromene-3-carboxylate Traditional Name: (3S)-6-chlorochroman-3-carboxylic acid [2-keto-2-(4-pyrrolidinoanilino)ethyl] ester Formula: C22H23ClN2O4 MolecularWeight: 414.88202

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC=C(C=C2)NC(=O)COC(=O)C3CC4=C(C=CC(=C4)Cl)OC3

Isomeric SMILES

C1CCN(C1)C2=CC=C(C=C2)NC(=O)COC(=O)[C@H]3CC4=C(C=CC(=C4)Cl)OC3

InChI

InChI=1S/C22H23ClN2O4/c23-17-3-8-20-15(12-17)11-16(13-28-20)22(27)29-14-21(26)24-18-4-6-19(7-5-18)25-9-1-2-10-25/h3-8,12,16H,1-2,9-11,13-14H2,(H,24,26)/t16-/m0/s1