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

Systemtic Name: 2-[2-[(3-chlorophenyl)methylamino]-2-oxidanylidene-ethyl]-1,4-dimethyl-pyrrole-3-carboxylic acid Openeye Name: 2-[2-[(3-chlorophenyl)methylamino]-2-oxo-ethyl]-1,4-dimethyl-pyrrole-3-carboxylic acid CAS Name: 2-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]-1,4-dimethyl-3-pyrrolecarboxylic acid IUPAC Name: 2-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]-1,4-dimethylpyrrole-3-carboxylic acid Traditional Name: 2-[2-[(3-chlorobenzyl)amino]-2-keto-ethyl]-1,4-dimethyl-pyrrole-3-carboxylic acid Formula: C16H17ClN2O3 MolecularWeight: 320.77078

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17ClN2O3/c1-10-9-19(2)13(15(10)16(21)22)7-14(20)18-8-11-4-3-5-12(17)6-11/h3-6,9H,7-8H2,1-2H3,(H,18,20)(H,21,22)