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

Systemtic Name: 1,4-dimethyl-2-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]pyrrole-3-carboxylic acid Openeye Name: 2-[2-(benzylamino)-2-oxo-ethyl]-1,4-dimethyl-pyrrole-3-carboxylic acid CAS Name: 1,4-dimethyl-2-[2-oxo-2-[(phenylmethyl)amino]ethyl]-3-pyrrolecarboxylic acid IUPAC Name: 2-[2-(benzylamino)-2-oxoethyl]-1,4-dimethylpyrrole-3-carboxylic acid Traditional Name: 2-[2-(benzylamino)-2-keto-ethyl]-1,4-dimethyl-pyrrole-3-carboxylic acid Formula: C16H18N2O3 MolecularWeight: 286.32572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=C1C(=O)O)CC(=O)NCC2=CC=CC=C2)C

Isomeric SMILES

CC1=CN(C(=C1C(=O)O)CC(=O)NCC2=CC=CC=C2)C

InChI

InChI=1S/C16H18N2O3/c1-11-10-18(2)13(15(11)16(20)21)8-14(19)17-9-12-6-4-3-5-7-12/h3-7,10H,8-9H2,1-2H3,(H,17,19)(H,20,21)