methyl 5-[[2-(diethylamino)-3-phenyl-propyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 5-[[2-(diethylamino)-3-phenyl-propyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: methyl 5-[[2-(diethylamino)-3-phenyl-propyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[[[2-(diethylamino)-3-phenylpropyl]amino]-oxomethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 5-[[2-(diethylamino)-3-phenylpropyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[[2-(diethylamino)-3-phenyl-propyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester Formula: C22H31N3O3 MolecularWeight: 385.49984

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(CC1=CC=CC=C1)CNC(=O)C2=C(C(=C(N2)C)C(=O)OC)C

Isomeric SMILES

CCN(CC)C(CC1=CC=CC=C1)CNC(=O)C2=C(C(=C(N2)C)C(=O)OC)C

InChI

InChI=1S/C22H31N3O3/c1-6-25(7-2)18(13-17-11-9-8-10-12-17)14-23-21(26)20-15(3)19(16(4)24-20)22(27)28-5/h8-12,18,24H,6-7,13-14H2,1-5H3,(H,23,26)