ethyl 4-[[(3S)-1-(4-chloranyl-2-methoxy-5-methyl-phenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]amino]benzoate

Systemtic Name: ethyl 4-[[(3S)-1-(4-chloranyl-2-methoxy-5-methyl-phenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]amino]benzoate Openeye Name: ethyl 4-[[(3S)-1-(4-chloro-2-methoxy-5-methyl-phenyl)-2,5-dioxo-pyrrolidin-3-yl]amino]benzoate CAS Name: 4-[[(3S)-1-(4-chloro-2-methoxy-5-methylphenyl)-2,5-dioxo-3-pyrrolidinyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(3S)-1-(4-chloro-2-methoxy-5-methylphenyl)-2,5-dioxopyrrolidin-3-yl]amino]benzoate Traditional Name: 4-[[(3S)-1-(4-chloro-2-methoxy-5-methyl-phenyl)-2,5-diketo-pyrrolidin-3-yl]amino]benzoic acid ethyl ester Formula: C21H21ClN2O5 MolecularWeight: 416.85484

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC2CC(=O)N(C2=O)C3=C(C=C(C(=C3)C)Cl)OC

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N[C@H]2CC(=O)N(C2=O)C3=C(C=C(C(=C3)C)Cl)OC

InChI

InChI=1S/C21H21ClN2O5/c1-4-29-21(27)13-5-7-14(8-6-13)23-16-11-19(25)24(20(16)26)17-9-12(2)15(22)10-18(17)28-3/h5-10,16,23H,4,11H2,1-3H3/t16-/m0/s1