4-[1-(5-chloranyl-2-pyrrolidin-1-yl-phenyl)-2-(ethylamino)-2-oxidanylidene-ethyl]benzoic acid

Systemtic Name: 4-[1-(5-chloranyl-2-pyrrolidin-1-yl-phenyl)-2-(ethylamino)-2-oxidanylidene-ethyl]benzoic acid Openeye Name: 4-[1-(5-chloro-2-pyrrolidin-1-yl-phenyl)-2-(ethylamino)-2-oxo-ethyl]benzoic acid CAS Name: 4-[1-[5-chloro-2-(1-pyrrolidinyl)phenyl]-2-(ethylamino)-2-oxoethyl]benzoic acid IUPAC Name: 4-[1-(5-chloro-2-pyrrolidin-1-ylphenyl)-2-(ethylamino)-2-oxoethyl]benzoic acid Traditional Name: 4-[1-(5-chloro-2-pyrrolidino-phenyl)-2-(ethylamino)-2-keto-ethyl]benzoic acid Formula: C21H23ClN2O3 MolecularWeight: 386.87192

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C(C1=CC=C(C=C1)C(=O)O)C2=C(C=CC(=C2)Cl)N3CCCC3

Isomeric SMILES

CCNC(=O)C(C1=CC=C(C=C1)C(=O)O)C2=C(C=CC(=C2)Cl)N3CCCC3

InChI

InChI=1S/C21H23ClN2O3/c1-2-23-20(25)19(14-5-7-15(8-6-14)21(26)27)17-13-16(22)9-10-18(17)24-11-3-4-12-24/h5-10,13,19H,2-4,11-12H2,1H3,(H,23,25)(H,26,27)