sodium (2R,4S)-7-chloranyl-4-(5-oxidanylidene-1-phenyl-2H-pyrrol-4-yl)-1,2,3,4-tetrahydroquinoline-2-carboxylate

Systemtic Name: sodium (2R,4S)-7-chloranyl-4-(5-oxidanylidene-1-phenyl-2H-pyrrol-4-yl)-1,2,3,4-tetrahydroquinoline-2-carboxylate Openeye Name: sodium (2R,4S)-7-chloro-4-(5-oxo-1-phenyl-2H-pyrrol-4-yl)-1,2,3,4-tetrahydroquinoline-2-carboxylate CAS Name: sodium (2R,4S)-7-chloro-4-(5-oxo-1-phenyl-2H-pyrrol-4-yl)-1,2,3,4-tetrahydroquinoline-2-carboxylate IUPAC Name: sodium (2R,4S)-7-chloro-4-(5-oxo-1-phenyl-2H-pyrrol-4-yl)-1,2,3,4-tetrahydroquinoline-2-carboxylate Traditional Name: sodium (2R,4S)-7-chloro-4-(2-keto-1-phenyl-3-pyrrolin-3-yl)-1,2,3,4-tetrahydroquinoline-2-carboxylate Formula: C20H16ClN2NaO3 MolecularWeight: 390.79541

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C(C(=O)N1C2=CC=CC=C2)C3CC(NC4=C3C=CC(=C4)Cl)C(=O)[O-].[Na+]

Isomeric SMILES

C1C=C(C(=O)N1C2=CC=CC=C2)[C@H]3C[C@@H](NC4=C3C=CC(=C4)Cl)C(=O)[O-].[Na+]

InChI

InChI=1S/C20H17ClN2O3.Na/c21-12-6-7-14-16(11-18(20(25)26)22-17(14)10-12)15-8-9-23(19(15)24)13-4-2-1-3-5-13;/h1-8,10,16,18,22H,9,11H2,(H,25,26);/q;+1/p-1/t16-,18+;/m0./s1