ethyl 2,5-dimethyl-1-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]pyrrole-3-carboxylate

Systemtic Name: ethyl 2,5-dimethyl-1-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]pyrrole-3-carboxylate Openeye Name: ethyl 1-[2-(benzylamino)-2-oxo-ethyl]-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-1-[2-oxo-2-[(phenylmethyl)amino]ethyl]-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(benzylamino)-2-oxoethyl]-2,5-dimethylpyrrole-3-carboxylate Traditional Name: 1-[2-(benzylamino)-2-keto-ethyl]-2,5-dimethyl-pyrrole-3-carboxylic acid ethyl ester Formula: C18H22N2O3 MolecularWeight: 314.37888

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=C1)C)CC(=O)NCC2=CC=CC=C2)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C1)C)CC(=O)NCC2=CC=CC=C2)C

InChI

InChI=1S/C18H22N2O3/c1-4-23-18(22)16-10-13(2)20(14(16)3)12-17(21)19-11-15-8-6-5-7-9-15/h5-10H,4,11-12H2,1-3H3,(H,19,21)