[(1R)-2-oxidanylidene-1-phenyl-2-pyrrolidin-1-yl-ethyl] 4-azanyl-5-chloranyl-2-methoxy-benzoate

Systemtic Name: [(1R)-2-oxidanylidene-1-phenyl-2-pyrrolidin-1-yl-ethyl] 4-azanyl-5-chloranyl-2-methoxy-benzoate Openeye Name: [(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-yl-ethyl] 4-amino-5-chloro-2-methoxy-benzoate CAS Name: 4-amino-5-chloro-2-methoxybenzoic acid [(1R)-2-oxo-1-phenyl-2-(1-pyrrolidinyl)ethyl] ester IUPAC Name: [(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 4-amino-5-chloro-2-methoxybenzoate Traditional Name: 4-amino-5-chloro-2-methoxy-benzoic acid [(1R)-2-keto-1-phenyl-2-pyrrolidino-ethyl] ester Formula: C20H21ClN2O4 MolecularWeight: 388.84474

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)OC(C2=CC=CC=C2)C(=O)N3CCCC3)Cl)N

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)O[C@H](C2=CC=CC=C2)C(=O)N3CCCC3)Cl)N

InChI

InChI=1S/C20H21ClN2O4/c1-26-17-12-16(22)15(21)11-14(17)20(25)27-18(13-7-3-2-4-8-13)19(24)23-9-5-6-10-23/h2-4,7-8,11-12,18H,5-6,9-10,22H2,1H3/t18-/m1/s1