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

Systemtic Name: [2-oxidanylidene-2-[[(2S)-2-phenylpropyl]amino]ethyl] (3S)-6-chloranyl-3,4-dihydro-2H-chromene-3-carboxylate Openeye Name: [2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] (3S)-6-chlorochromane-3-carboxylate CAS Name: (3S)-6-chloro-3,4-dihydro-2H-1-benzopyran-3-carboxylic acid [2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] (3S)-6-chloro-3,4-dihydro-2H-chromene-3-carboxylate Traditional Name: (3S)-6-chlorochroman-3-carboxylic acid [2-keto-2-[[(2S)-2-phenylpropyl]amino]ethyl] ester Formula: C21H22ClNO4 MolecularWeight: 387.85668

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)COC(=O)C1CC2=C(C=CC(=C2)Cl)OC1)C3=CC=CC=C3

Isomeric SMILES

C[C@H](CNC(=O)COC(=O)[C@H]1CC2=C(C=CC(=C2)Cl)OC1)C3=CC=CC=C3

InChI

InChI=1S/C21H22ClNO4/c1-14(15-5-3-2-4-6-15)11-23-20(24)13-27-21(25)17-9-16-10-18(22)7-8-19(16)26-12-17/h2-8,10,14,17H,9,11-13H2,1H3,(H,23,24)/t14-,17+/m1/s1