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

Systemtic Name: 4-[3-(3-aminocarbonylphenyl)-1-azanyl-1-oxidanylidene-4-piperidin-1-yl-butan-2-yl]benzoic acid Openeye Name: 4-[1-carbamoyl-2-(3-carbamoylphenyl)-3-(1-piperidyl)propyl]benzoic acid CAS Name: 4-[1-amino-3-(3-carbamoylphenyl)-1-oxo-4-(1-piperidinyl)butan-2-yl]benzoic acid IUPAC Name: 4-[1-amino-3-(3-carbamoylphenyl)-1-oxo-4-piperidin-1-ylbutan-2-yl]benzoic acid Traditional Name: 4-[1-carbamoyl-2-(3-carbamoylphenyl)-3-piperidino-propyl]benzoic acid Formula: C23H27N3O4 MolecularWeight: 409.47818

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC(C2=CC=CC(=C2)C(=O)N)C(C3=CC=C(C=C3)C(=O)O)C(=O)N

Isomeric SMILES

C1CCN(CC1)CC(C2=CC=CC(=C2)C(=O)N)C(C3=CC=C(C=C3)C(=O)O)C(=O)N

InChI

InChI=1S/C23H27N3O4/c24-21(27)18-6-4-5-17(13-18)19(14-26-11-2-1-3-12-26)20(22(25)28)15-7-9-16(10-8-15)23(29)30/h4-10,13,19-20H,1-3,11-12,14H2,(H2,24,27)(H2,25,28)(H,29,30)