[2-[(3-chlorophenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl] 4-pyrrol-1-ylbenzoate

Systemtic Name: [2-[(3-chlorophenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl] 4-pyrrol-1-ylbenzoate Openeye Name: [2-[(3-chlorophenyl)methyl-methyl-amino]-2-oxo-ethyl] 4-pyrrol-1-ylbenzoate CAS Name: 4-(1-pyrrolyl)benzoic acid [2-[(3-chlorophenyl)methyl-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(3-chlorophenyl)methyl-methylamino]-2-oxoethyl] 4-pyrrol-1-ylbenzoate Traditional Name: 4-pyrrol-1-ylbenzoic acid [2-[(3-chlorobenzyl)-methyl-amino]-2-keto-ethyl] ester Formula: C21H19ClN2O3 MolecularWeight: 382.84016

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC(=CC=C1)Cl)C(=O)COC(=O)C2=CC=C(C=C2)N3C=CC=C3

Isomeric SMILES

CN(CC1=CC(=CC=C1)Cl)C(=O)COC(=O)C2=CC=C(C=C2)N3C=CC=C3

InChI

InChI=1S/C21H19ClN2O3/c1-23(14-16-5-4-6-18(22)13-16)20(25)15-27-21(26)17-7-9-19(10-8-17)24-11-2-3-12-24/h2-13H,14-15H2,1H3