[2-[[(1R)-1-(4-bromophenyl)propyl]amino]-2-oxidanylidene-ethyl] 4-ethanoyl-1H-pyrrole-2-carboxylate

Systemtic Name: [2-[[(1R)-1-(4-bromophenyl)propyl]amino]-2-oxidanylidene-ethyl] 4-ethanoyl-1H-pyrrole-2-carboxylate Openeye Name: [2-[[(1R)-1-(4-bromophenyl)propyl]amino]-2-oxo-ethyl] 4-acetyl-1H-pyrrole-2-carboxylate CAS Name: 4-acetyl-1H-pyrrole-2-carboxylic acid [2-[[(1R)-1-(4-bromophenyl)propyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1R)-1-(4-bromophenyl)propyl]amino]-2-oxoethyl] 4-acetyl-1H-pyrrole-2-carboxylate Traditional Name: 4-acetyl-1H-pyrrole-2-carboxylic acid [2-[[(1R)-1-(4-bromophenyl)propyl]amino]-2-keto-ethyl] ester Formula: C18H19BrN2O4 MolecularWeight: 407.25846

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=C(C=C1)Br)NC(=O)COC(=O)C2=CC(=CN2)C(=O)C

Isomeric SMILES

CC[C@H](C1=CC=C(C=C1)Br)NC(=O)COC(=O)C2=CC(=CN2)C(=O)C

InChI

InChI=1S/C18H19BrN2O4/c1-3-15(12-4-6-14(19)7-5-12)21-17(23)10-25-18(24)16-8-13(9-20-16)11(2)22/h4-9,15,20H,3,10H2,1-2H3,(H,21,23)/t15-/m1/s1