ethyl 5-[[2-(diethylaminomethyl)phenyl]methylcarbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 5-[[2-(diethylaminomethyl)phenyl]methylcarbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[[2-(diethylaminomethyl)phenyl]methylcarbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[[[2-(diethylaminomethyl)phenyl]methylamino]-oxomethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[[2-(diethylaminomethyl)phenyl]methylcarbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[[2-(diethylaminomethyl)benzyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C22H31N3O3 MolecularWeight: 385.49984

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC1=CC=CC=C1CNC(=O)C2=C(C(=C(N2)C)C(=O)OCC)C

Isomeric SMILES

CCN(CC)CC1=CC=CC=C1CNC(=O)C2=C(C(=C(N2)C)C(=O)OCC)C

InChI

InChI=1S/C22H31N3O3/c1-6-25(7-2)14-18-12-10-9-11-17(18)13-23-21(26)20-15(4)19(16(5)24-20)22(27)28-8-3/h9-12,24H,6-8,13-14H2,1-5H3,(H,23,26)