[2-(cyclooctylamino)-2-oxidanylidene-ethyl] 4-chloranyl-1H-pyrrole-2-carboxylate

Systemtic Name: [2-(cyclooctylamino)-2-oxidanylidene-ethyl] 4-chloranyl-1H-pyrrole-2-carboxylate Openeye Name: [2-(cyclooctylamino)-2-oxo-ethyl] 4-chloro-1H-pyrrole-2-carboxylate CAS Name: 4-chloro-1H-pyrrole-2-carboxylic acid [2-(cyclooctylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclooctylamino)-2-oxoethyl] 4-chloro-1H-pyrrole-2-carboxylate Traditional Name: 4-chloro-1H-pyrrole-2-carboxylic acid [2-(cyclooctylamino)-2-keto-ethyl] ester Formula: C15H21ClN2O3 MolecularWeight: 312.79184

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)NC(=O)COC(=O)C2=CC(=CN2)Cl

Isomeric SMILES

C1CCCC(CCC1)NC(=O)COC(=O)C2=CC(=CN2)Cl

InChI

InChI=1S/C15H21ClN2O3/c16-11-8-13(17-9-11)15(20)21-10-14(19)18-12-6-4-2-1-3-5-7-12/h8-9,12,17H,1-7,10H2,(H,18,19)