ethyl 2,4-dimethyl-1-[2-(3-methylbutylamino)-2-oxidanylidene-ethyl]-5-phenyl-pyrrole-3-carboxylate

Systemtic Name: ethyl 2,4-dimethyl-1-[2-(3-methylbutylamino)-2-oxidanylidene-ethyl]-5-phenyl-pyrrole-3-carboxylate Openeye Name: ethyl 1-[2-(isopentylamino)-2-oxo-ethyl]-2,4-dimethyl-5-phenyl-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-1-[2-(3-methylbutylamino)-2-oxoethyl]-5-phenyl-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 2,4-dimethyl-1-[2-(3-methylbutylamino)-2-oxoethyl]-5-phenylpyrrole-3-carboxylate Traditional Name: 1-[2-(isoamylamino)-2-keto-ethyl]-2,4-dimethyl-5-phenyl-pyrrole-3-carboxylic acid ethyl ester Formula: C22H30N2O3 MolecularWeight: 370.4852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=C1C)C2=CC=CC=C2)CC(=O)NCCC(C)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C1C)C2=CC=CC=C2)CC(=O)NCCC(C)C)C

InChI

InChI=1S/C22H30N2O3/c1-6-27-22(26)20-16(4)21(18-10-8-7-9-11-18)24(17(20)5)14-19(25)23-13-12-15(2)3/h7-11,15H,6,12-14H2,1-5H3,(H,23,25)