ethyl 1-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-2-methyl-5-phenyl-pyrrole-3-carboxylate

Systemtic Name: ethyl 1-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-2-methyl-5-phenyl-pyrrole-3-carboxylate Openeye Name: ethyl 1-[2-(azepan-1-yl)-2-oxo-ethyl]-2-methyl-5-phenyl-pyrrole-3-carboxylate CAS Name: 1-[2-(1-azepanyl)-2-oxoethyl]-2-methyl-5-phenyl-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(azepan-1-yl)-2-oxoethyl]-2-methyl-5-phenylpyrrole-3-carboxylate Traditional Name: 1-[2-(azepan-1-yl)-2-keto-ethyl]-2-methyl-5-phenyl-pyrrole-3-carboxylic acid ethyl ester Formula: C22H28N2O3 MolecularWeight: 368.46932

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=C1)C2=CC=CC=C2)CC(=O)N3CCCCCC3)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C1)C2=CC=CC=C2)CC(=O)N3CCCCCC3)C

InChI

InChI=1S/C22H28N2O3/c1-3-27-22(26)19-15-20(18-11-7-6-8-12-18)24(17(19)2)16-21(25)23-13-9-4-5-10-14-23/h6-8,11-12,15H,3-5,9-10,13-14,16H2,1-2H3