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

Systemtic Name: 4-[1-azanyl-3-[2-(5-chloranylazocan-2-yl)phenyl]-1-oxidanylidene-butan-2-yl]benzoic acid Openeye Name: 4-[1-carbamoyl-2-[2-(5-chloroazocan-2-yl)phenyl]propyl]benzoic acid CAS Name: 4-[1-amino-3-[2-(5-chloro-2-azocanyl)phenyl]-1-oxobutan-2-yl]benzoic acid IUPAC Name: 4-[1-amino-3-[2-(5-chloroazocan-2-yl)phenyl]-1-oxobutan-2-yl]benzoic acid Traditional Name: 4-[1-carbamoyl-2-[2-(5-chloroazocan-2-yl)phenyl]propyl]benzoic acid Formula: C24H29ClN2O3 MolecularWeight: 428.95166

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1C2CCC(CCCN2)Cl)C(C3=CC=C(C=C3)C(=O)O)C(=O)N

Isomeric SMILES

CC(C1=CC=CC=C1C2CCC(CCCN2)Cl)C(C3=CC=C(C=C3)C(=O)O)C(=O)N

InChI

InChI=1S/C24H29ClN2O3/c1-15(22(23(26)28)16-8-10-17(11-9-16)24(29)30)19-6-2-3-7-20(19)21-13-12-18(25)5-4-14-27-21/h2-3,6-11,15,18,21-22,27H,4-5,12-14H2,1H3,(H2,26,28)(H,29,30)