(3S)-1-(5-chloranyl-2-methoxy-phenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-5-oxidanylidene-pyrrolidine-3-carboxamide

Systemtic Name: (3S)-1-(5-chloranyl-2-methoxy-phenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-5-oxidanylidene-pyrrolidine-3-carboxamide Openeye Name: (3S)-1-(5-chloro-2-methoxy-phenyl)-N-[(4S)-chroman-4-yl]-5-oxo-pyrrolidine-3-carboxamide CAS Name: (3S)-1-(5-chloro-2-methoxyphenyl)-N-[(4S)-3,4-dihydro-2H-1-benzopyran-4-yl]-5-oxo-3-pyrrolidinecarboxamide IUPAC Name: (3S)-1-(5-chloro-2-methoxyphenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-5-oxopyrrolidine-3-carboxamide Traditional Name: (3S)-1-(5-chloro-2-methoxy-phenyl)-N-[(4S)-chroman-4-yl]-5-keto-pyrrolidine-3-carboxamide Formula: C21H21ClN2O4 MolecularWeight: 400.85544

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)N2CC(CC2=O)C(=O)NC3CCOC4=CC=CC=C34

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)N2C[C@H](CC2=O)C(=O)N[C@H]3CCOC4=CC=CC=C34

InChI

InChI=1S/C21H21ClN2O4/c1-27-19-7-6-14(22)11-17(19)24-12-13(10-20(24)25)21(26)23-16-8-9-28-18-5-3-2-4-15(16)18/h2-7,11,13,16H,8-10,12H2,1H3,(H,23,26)/t13-,16-/m0/s1