ethyl 5-[3-[(3,4-dimethoxyphenyl)methylamino]-3-oxidanylidene-propyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 5-[3-[(3,4-dimethoxyphenyl)methylamino]-3-oxidanylidene-propyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[3-[(3,4-dimethoxyphenyl)methylamino]-3-oxo-propyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[3-[(3,4-dimethoxyphenyl)methylamino]-3-oxopropyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[3-[(3,4-dimethoxyphenyl)methylamino]-3-oxopropyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[3-keto-3-(veratrylamino)propyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C21H28N2O5 MolecularWeight: 388.45742

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)CCC(=O)NCC2=CC(=C(C=C2)OC)OC)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)CCC(=O)NCC2=CC(=C(C=C2)OC)OC)C

InChI

InChI=1S/C21H28N2O5/c1-6-28-21(25)20-13(2)16(23-14(20)3)8-10-19(24)22-12-15-7-9-17(26-4)18(11-15)27-5/h7,9,11,23H,6,8,10,12H2,1-5H3,(H,22,24)