(2S,3R)-1-[4-(2-bromanylethanoylamino)phenyl]-3-(4-methoxyphenyl)pyrrolidine-2-carboxylic acid

Systemtic Name: (2S,3R)-1-[4-(2-bromanylethanoylamino)phenyl]-3-(4-methoxyphenyl)pyrrolidine-2-carboxylic acid Openeye Name: (2S,3R)-1-[4-[(2-bromoacetyl)amino]phenyl]-3-(4-methoxyphenyl)pyrrolidine-2-carboxylic acid CAS Name: (2S,3R)-1-[4-[(2-bromo-1-oxoethyl)amino]phenyl]-3-(4-methoxyphenyl)-2-pyrrolidinecarboxylic acid IUPAC Name: (2S,3R)-1-[4-[(2-bromoacetyl)amino]phenyl]-3-(4-methoxyphenyl)pyrrolidine-2-carboxylic acid Traditional Name: (2S,3R)-1-[4-[(2-bromoacetyl)amino]phenyl]-3-(4-methoxyphenyl)proline Formula: C20H21BrN2O4 MolecularWeight: 433.29574

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CCN(C2C(=O)O)C3=CC=C(C=C3)NC(=O)CBr

Isomeric SMILES

COC1=CC=C(C=C1)[C@H]2CCN([C@@H]2C(=O)O)C3=CC=C(C=C3)NC(=O)CBr

InChI

InChI=1S/C20H21BrN2O4/c1-27-16-8-2-13(3-9-16)17-10-11-23(19(17)20(25)26)15-6-4-14(5-7-15)22-18(24)12-21/h2-9,17,19H,10-12H2,1H3,(H,22,24)(H,25,26)/t17-,19+/m1/s1