ethyl 1-[3-(2-dimethylaminoethylamino)-3-oxidanylidene-propyl]-2-methyl-5-(4-methylphenyl)pyrrole-3-carboxylate

Systemtic Name: ethyl 1-[3-(2-dimethylaminoethylamino)-3-oxidanylidene-propyl]-2-methyl-5-(4-methylphenyl)pyrrole-3-carboxylate Openeye Name: ethyl 1-[3-(2-dimethylaminoethylamino)-3-oxo-propyl]-2-methyl-5-(p-tolyl)pyrrole-3-carboxylate CAS Name: 1-[3-(2-dimethylaminoethylamino)-3-oxopropyl]-2-methyl-5-(4-methylphenyl)-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-(2-dimethylaminoethylamino)-3-oxopropyl]-2-methyl-5-(4-methylphenyl)pyrrole-3-carboxylate Traditional Name: 1-[3-(2-dimethylaminoethylamino)-3-keto-propyl]-2-methyl-5-(p-tolyl)pyrrole-3-carboxylic acid ethyl ester Formula: C22H31N3O3 MolecularWeight: 385.49984

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31N3O3/c1-6-28-22(27)19-15-20(18-9-7-16(2)8-10-18)25(17(19)3)13-11-21(26)23-12-14-24(4)5/h7-10,15H,6,11-14H2,1-5H3,(H,23,26)