ethyl 1-ethyl-3,5-dimethyl-4-[2-[phenylcarbonyl(pyridin-3-ylmethyl)amino]propanoyl]pyrrole-2-carboxylate

Systemtic Name: ethyl 1-ethyl-3,5-dimethyl-4-[2-[phenylcarbonyl(pyridin-3-ylmethyl)amino]propanoyl]pyrrole-2-carboxylate Openeye Name: ethyl 4-[2-[benzoyl(3-pyridylmethyl)amino]propanoyl]-1-ethyl-3,5-dimethyl-pyrrole-2-carboxylate CAS Name: 4-[2-[benzoyl(3-pyridinylmethyl)amino]-1-oxopropyl]-1-ethyl-3,5-dimethyl-2-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[benzoyl(pyridin-3-ylmethyl)amino]propanoyl]-1-ethyl-3,5-dimethylpyrrole-2-carboxylate Traditional Name: 4-[2-[benzoyl(3-pyridylmethyl)amino]propanoyl]-1-ethyl-3,5-dimethyl-pyrrole-2-carboxylic acid ethyl ester Formula: C27H31N3O4 MolecularWeight: 461.55274

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=C1C(=O)OCC)C)C(=O)C(C)N(CC2=CN=CC=C2)C(=O)C3=CC=CC=C3)C

Isomeric SMILES

CCN1C(=C(C(=C1C(=O)OCC)C)C(=O)C(C)N(CC2=CN=CC=C2)C(=O)C3=CC=CC=C3)C

InChI

InChI=1S/C27H31N3O4/c1-6-29-19(4)23(18(3)24(29)27(33)34-7-2)25(31)20(5)30(17-21-12-11-15-28-16-21)26(32)22-13-9-8-10-14-22/h8-16,20H,6-7,17H2,1-5H3