methyl 4-[4-(2-aminophenyl)butanoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 4-[4-(2-aminophenyl)butanoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: methyl 4-[4-(2-aminophenyl)butanoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 4-[4-(2-aminophenyl)-1-oxobutyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 4-[4-(2-aminophenyl)butanoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 4-[4-(2-aminophenyl)butanoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester Formula: C18H22N2O3 MolecularWeight: 314.37888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1)C)C(=O)OC)C(=O)CCCC2=CC=CC=C2N

Isomeric SMILES

CC1=C(C(=C(N1)C)C(=O)OC)C(=O)CCCC2=CC=CC=C2N

InChI

InChI=1S/C18H22N2O3/c1-11-16(17(12(2)20-11)18(22)23-3)15(21)10-6-8-13-7-4-5-9-14(13)19/h4-5,7,9,20H,6,8,10,19H2,1-3H3