2-[2-[(4-ethylphenyl)methylamino]-2-oxidanylidene-ethyl]-1,4-dimethyl-pyrrole-3-carboxylic acid

Systemtic Name: 2-[2-[(4-ethylphenyl)methylamino]-2-oxidanylidene-ethyl]-1,4-dimethyl-pyrrole-3-carboxylic acid Openeye Name: 2-[2-[(4-ethylphenyl)methylamino]-2-oxo-ethyl]-1,4-dimethyl-pyrrole-3-carboxylic acid CAS Name: 2-[2-[(4-ethylphenyl)methylamino]-2-oxoethyl]-1,4-dimethyl-3-pyrrolecarboxylic acid IUPAC Name: 2-[2-[(4-ethylphenyl)methylamino]-2-oxoethyl]-1,4-dimethylpyrrole-3-carboxylic acid Traditional Name: 2-[2-[(4-ethylbenzyl)amino]-2-keto-ethyl]-1,4-dimethyl-pyrrole-3-carboxylic acid Formula: C18H22N2O3 MolecularWeight: 314.37888

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CNC(=O)CC2=C(C(=CN2C)C)C(=O)O

Isomeric SMILES

CCC1=CC=C(C=C1)CNC(=O)CC2=C(C(=CN2C)C)C(=O)O

InChI

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