4-[1-azanyl-3-(5-chloranyl-2-morpholin-4-yl-phenyl)-1-oxidanylidene-butan-2-yl]benzoic acid

Systemtic Name: 4-[1-azanyl-3-(5-chloranyl-2-morpholin-4-yl-phenyl)-1-oxidanylidene-butan-2-yl]benzoic acid Openeye Name: 4-[1-carbamoyl-2-(5-chloro-2-morpholino-phenyl)propyl]benzoic acid CAS Name: 4-[1-amino-3-[5-chloro-2-(4-morpholinyl)phenyl]-1-oxobutan-2-yl]benzoic acid IUPAC Name: 4-[1-amino-3-(5-chloro-2-morpholin-4-ylphenyl)-1-oxobutan-2-yl]benzoic acid Traditional Name: 4-[1-carbamoyl-2-(5-chloro-2-morpholino-phenyl)propyl]benzoic acid Formula: C21H23ClN2O4 MolecularWeight: 402.87132

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(C=CC(=C1)Cl)N2CCOCC2)C(C3=CC=C(C=C3)C(=O)O)C(=O)N

Isomeric SMILES

CC(C1=C(C=CC(=C1)Cl)N2CCOCC2)C(C3=CC=C(C=C3)C(=O)O)C(=O)N

InChI

InChI=1S/C21H23ClN2O4/c1-13(19(20(23)25)14-2-4-15(5-3-14)21(26)27)17-12-16(22)6-7-18(17)24-8-10-28-11-9-24/h2-7,12-13,19H,8-11H2,1H3,(H2,23,25)(H,26,27)