methyl 5-[2-(4-methoxyphenyl)azepan-1-yl]carbonyl-2,4-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 5-[2-(4-methoxyphenyl)azepan-1-yl]carbonyl-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: methyl 5-[2-(4-methoxyphenyl)azepane-1-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[[2-(4-methoxyphenyl)-1-azepanyl]-oxomethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 5-[2-(4-methoxyphenyl)azepane-1-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[2-(4-methoxyphenyl)azepane-1-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester Formula: C22H28N2O4 MolecularWeight: 384.46872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C(=O)N2CCCCCC2C3=CC=C(C=C3)OC

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)N2CCCCCC2C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H28N2O4/c1-14-19(22(26)28-4)15(2)23-20(14)21(25)24-13-7-5-6-8-18(24)16-9-11-17(27-3)12-10-16/h9-12,18,23H,5-8,13H2,1-4H3