ethyl 1,3,5-trimethyl-4-[[(2R)-4-phenylbutan-2-yl]carbamoyl]pyrrole-2-carboxylate

Systemtic Name: ethyl 1,3,5-trimethyl-4-[[(2R)-4-phenylbutan-2-yl]carbamoyl]pyrrole-2-carboxylate Openeye Name: ethyl 1,3,5-trimethyl-4-[[(1R)-1-methyl-3-phenyl-propyl]carbamoyl]pyrrole-2-carboxylate CAS Name: 1,3,5-trimethyl-4-[oxo-[[(2R)-4-phenylbutan-2-yl]amino]methyl]-2-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1,3,5-trimethyl-4-[[(2R)-4-phenylbutan-2-yl]carbamoyl]pyrrole-2-carboxylate Traditional Name: 1,3,5-trimethyl-4-[[(1R)-1-methyl-3-phenyl-propyl]carbamoyl]pyrrole-2-carboxylic acid ethyl ester Formula: C21H28N2O3 MolecularWeight: 356.45862

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1C)C)C(=O)NC(C)CCC2=CC=CC=C2)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1C)C)C(=O)N[C@H](C)CCC2=CC=CC=C2)C

InChI

InChI=1S/C21H28N2O3/c1-6-26-21(25)19-15(3)18(16(4)23(19)5)20(24)22-14(2)12-13-17-10-8-7-9-11-17/h7-11,14H,6,12-13H2,1-5H3,(H,22,24)/t14-/m1/s1