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

Systemtic Name: ethyl 1-[3-(azepan-1-yl)-3-oxidanylidene-propyl]-2-methyl-5-phenyl-pyrrole-3-carboxylate Openeye Name: ethyl 1-[3-(azepan-1-yl)-3-oxo-propyl]-2-methyl-5-phenyl-pyrrole-3-carboxylate CAS Name: 1-[3-(1-azepanyl)-3-oxopropyl]-2-methyl-5-phenyl-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-(azepan-1-yl)-3-oxopropyl]-2-methyl-5-phenylpyrrole-3-carboxylate Traditional Name: 1-[3-(azepan-1-yl)-3-keto-propyl]-2-methyl-5-phenyl-pyrrole-3-carboxylic acid ethyl ester Formula: C23H30N2O3 MolecularWeight: 382.4959

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N2O3/c1-3-28-23(27)20-17-21(19-11-7-6-8-12-19)25(18(20)2)16-13-22(26)24-14-9-4-5-10-15-24/h6-8,11-12,17H,3-5,9-10,13-16H2,1-2H3