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

Systemtic Name: 4-[3-(5-aminocarbonyl-2-piperidin-1-yl-phenyl)-1-azanyl-1-oxidanylidene-butan-2-yl]benzoic acid Openeye Name: 4-[1-carbamoyl-2-[5-carbamoyl-2-(1-piperidyl)phenyl]propyl]benzoic acid CAS Name: 4-[1-amino-3-[5-carbamoyl-2-(1-piperidinyl)phenyl]-1-oxobutan-2-yl]benzoic acid IUPAC Name: 4-[1-amino-3-(5-carbamoyl-2-piperidin-1-ylphenyl)-1-oxobutan-2-yl]benzoic acid Traditional Name: 4-[1-carbamoyl-2-(5-carbamoyl-2-piperidino-phenyl)propyl]benzoic acid Formula: C23H27N3O4 MolecularWeight: 409.47818

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(C=CC(=C1)C(=O)N)N2CCCCC2)C(C3=CC=C(C=C3)C(=O)O)C(=O)N

Isomeric SMILES

CC(C1=C(C=CC(=C1)C(=O)N)N2CCCCC2)C(C3=CC=C(C=C3)C(=O)O)C(=O)N

InChI

InChI=1S/C23H27N3O4/c1-14(20(22(25)28)15-5-7-16(8-6-15)23(29)30)18-13-17(21(24)27)9-10-19(18)26-11-3-2-4-12-26/h5-10,13-14,20H,2-4,11-12H2,1H3,(H2,24,27)(H2,25,28)(H,29,30)