ethyl 2,5-dimethyl-1-[2-[3-(3-methylphenoxy)propylamino]-2-oxidanylidene-ethyl]pyrrole-3-carboxylate

Systemtic Name: ethyl 2,5-dimethyl-1-[2-[3-(3-methylphenoxy)propylamino]-2-oxidanylidene-ethyl]pyrrole-3-carboxylate Openeye Name: ethyl 2,5-dimethyl-1-[2-[3-(3-methylphenoxy)propylamino]-2-oxo-ethyl]pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-1-[2-[3-(3-methylphenoxy)propylamino]-2-oxoethyl]-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 2,5-dimethyl-1-[2-[3-(3-methylphenoxy)propylamino]-2-oxoethyl]pyrrole-3-carboxylate Traditional Name: 1-[2-keto-2-[3-(3-methylphenoxy)propylamino]ethyl]-2,5-dimethyl-pyrrole-3-carboxylic acid ethyl ester Formula: C21H28N2O4 MolecularWeight: 372.45802

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=C1)C)CC(=O)NCCCOC2=CC=CC(=C2)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C1)C)CC(=O)NCCCOC2=CC=CC(=C2)C)C

InChI

InChI=1S/C21H28N2O4/c1-5-26-21(25)19-13-16(3)23(17(19)4)14-20(24)22-10-7-11-27-18-9-6-8-15(2)12-18/h6,8-9,12-13H,5,7,10-11,14H2,1-4H3,(H,22,24)