4-[1-(3-chloranyl-2-piperidin-1-yl-phenyl)-2-(ethylamino)-2-oxidanylidene-ethyl]benzoic acid

Systemtic Name: 4-[1-(3-chloranyl-2-piperidin-1-yl-phenyl)-2-(ethylamino)-2-oxidanylidene-ethyl]benzoic acid Openeye Name: 4-[1-[3-chloro-2-(1-piperidyl)phenyl]-2-(ethylamino)-2-oxo-ethyl]benzoic acid CAS Name: 4-[1-[3-chloro-2-(1-piperidinyl)phenyl]-2-(ethylamino)-2-oxoethyl]benzoic acid IUPAC Name: 4-[1-(3-chloro-2-piperidin-1-ylphenyl)-2-(ethylamino)-2-oxoethyl]benzoic acid Traditional Name: 4-[1-(3-chloro-2-piperidino-phenyl)-2-(ethylamino)-2-keto-ethyl]benzoic acid Formula: C22H25ClN2O3 MolecularWeight: 400.8985

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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)N3CCCCC3

Isomeric SMILES

CCNC(=O)C(C1=CC=C(C=C1)C(=O)O)C2=C(C(=CC=C2)Cl)N3CCCCC3

InChI

InChI=1S/C22H25ClN2O3/c1-2-24-21(26)19(15-9-11-16(12-10-15)22(27)28)17-7-6-8-18(23)20(17)25-13-4-3-5-14-25/h6-12,19H,2-5,13-14H2,1H3,(H,24,26)(H,27,28)